Results for:
Species: marine Streptomycete (isolate B6007)

Signature

Hexadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names

pentadecanecarboxylate

Pentadecanecarboxylic acid

Palmitinsaeure

Palmiticacid

Hexadecoate

Palmitinate

palmitoate

Calcium palmitate

Hexadecanoic acid

Hydrofol

IPCSVZSSVZVIGE-UHFFFAOYSA-N

palmitate

hexadecoic acid

Hexadecylic acid

hexaectylic acid

Palmitinic acid

1-Pentadecanecarboxylic acid

Hexadecanoic acid anion

Hexadecanoic acid Palmitic acid

n-hexadecoate

palmitic acid

palmitoic acid

1-hexyldecanoate

Cetylic acid

FAT

palmic acid

Palmitic acid_RaGuSa

PLM

Fatty acid pathway

n-Hexadecanoic acid

Palmitic acid_jeyam

2hmb

2hnx

n-Hexadecoic acid

Palmitic acid, analytical standard

1-Hexyldecanoic Acid

ACMC-1ASQF

3v2q

AC1L1AH2

Palmitic acid, pure

Edenor C16

SCHEMBL6177

1b56

GTPL1055

I728

KSC270O2R

Palmitic acid 95%

C16 fatty acid

CHEMBL82293

Emersol 140

Emersol 143

Industrene 4516

NSC5030

Palmitic acid (natural)

Pristerene 4934

Univol U332

CTK1H0728

HMDB00220

Hystrene 8016

Hystrene 9016

Kortacid 1695

Kortacid 1698

Lunac P 95KC

N2456

P0002

P1145

QSPL 166

DB03796

Glycon P-45

Hexadecanoic acid (9CI)

Lunac P 95

Lunac P 98

P5585_SIGMA

PA 900

Palmitic acid (NF)

Palmitic acid, >=99%

Prifac 2960

Prifrac 2960

RP29137

2V16EO95H1

bmse000590

C00249

C16:0

CCRIS 5443

D05341

HMS3649N08

HSDB 5001

Hydrofol Acid 1690

Loxiol EP 278

Palmitic acid, European Pharmacopoeia (EP) Reference Standard

WLN: QV15

BBL011563

DNC005038

DTXSID2021602

FA 1695

LP002534

LS-2331

NSC 5030

NSC-5030

Palmitic acid [USAN:NF]

SBB017229

ST023798

STL146733

CHEBI:15756

DSSTox_CID_1602

Palmitic acid, certified reference material, TraceCERT(R)

Palmitic acid, pharmaceutical secondary standard; traceable to USP and PhEur

Palmitic acid, United States Pharmacopeia (USP) Reference Standard

UNII-2V16EO95H1

ZINC6072466

AB1002597

AK-48351

AN-23574

ANW-13574

DSSTox_GSID_21602

Palmitic acid, BioXtra, >=99%

SC-81752

(C14-C18)Alkylcarboxylic acid

BB_SC-9400

BDBM50152850

DSSTox_RID_76229

LMFA01010001

MFCD00002747

AI3-01594

RTC-060456

SEL10404124

ST24025707

TC-060456

AKOS005720983

BB_SC-09400

Epitope ID:141181

Palmitic acid (7CI,8CI)

S04-0102

BRN 0607489

FEMA No. 2832

FT-0626965

(C14-C18) Alkylcarboxylic acid

57-10-3

Palmitic acid, Grade II, ~95%

Z955123552

Fatty acids, C14-18

Tox21_112105

Tox21_201671

Tox21_302966

C16:0 (Lipid numbers)

CH3-[CH2]14-COOH

CAS-57-10-3

Palmitic acid, natural, 98%, FG

8045-38-3

MCULE-1361949901

NCGC00164358-01

NCGC00164358-02

NCGC00164358-03

NCGC00256424-01

NCGC00259220-01

Palmitic acid, >=95%, FCC, FG

Palmitic acid, for synthesis, 98.0%

Sodium Palmitate, Palmitic acid sodium salt, Sodium hexadecanoate, Sodium pentadecanecarboxylate, HSDB 759

EINECS 200-312-9

EINECS 266-926-4

Palmitic acid, >=98% palmitic acid basis (GC)

Palmitic acid, 95% 500g

60605-23-4

66321-94-6

67701-02-4

Palmitic acid, SAJ first grade, >=95.0%

Palmitic acid, Vetec(TM) reagent grade, 98%

SDA 17-005-00

SR-01000944716

Tox21_112105_1

116860-99-2

212625-86-0

MolPort-001-780-241

Palmitic acid, purum, >=98.0% (GC)

SR-01000944716-1

Light end (C14-C18) saturated fatty acid fraction from tallow fatty acids

4-02-00-01157 (Beilstein Handbook Reference)

BA71C79B-C9B1-451A-A5BE-B480B5CC7D0C

Microorganism:

Yes

IUPAC name

hexadecanoic acid

SMILES

CCCCCCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

Formula

C₁₆H₃₂O₂

PubChem ID

985

Molweight

256.43

LogP

6.26

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Volatilization

An estimated pKa of 4.7(1) for palmitic acid indicates palmitic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Palmitic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.8X10-7 mm Hg(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 2008. (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)

Soil Adsorption

The Koc of undissociated palmitic acid is estimated as 189,000(SRC), using a log Kow of 7.17(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated palmitic acid is expected to be immobile in soil. The estimated pKa of palmitic acid is 4.7(4), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 2008. (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Vapor Pressure

Pressure	Reference
3.8X10-7 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 142809

MS-MS Spectrum 142811

MS-MS Spectrum 81667

MS-MS Spectrum 142810

MS-MS Spectrum 81668

MS-MS Spectrum 81666

1D-NMR-Links

1D NMR Spectrum 4753

1D NMR Spectrum 3179 - Varian 25.16 MHz 13C NMR

1D NMR Spectrum 4752

1D NMR Spectrum 1217 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacteroides Fragilis ATCC 25285	n/a		Brondz and Olsen, 1991
Bacteria	Bacteroides Gracilis CCUG 13143 (ATCC 33236)	n/a		Brondz and Olsen, 1991
Bacteria	Bacteroides Ureolyticus CCUG 7319 (ATCC 33387)	n/a		Brondz and Olsen, 1991
Bacteria	Campylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)	n/a		Brondz and Olsen, 1991
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Bacteria	Porphyromonas Endodontalis HG 181 (H 11a-e)	n/a		Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 182 (BN 11a-f)	n/a		Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 370 (ATCC 35406)	n/a		Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 412	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ATCC 33574	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES12-B	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES17-1	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES9-1	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Disiens DSM 20516	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Heparinolyticus ATCC 35895	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES14B-3A	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES15-2	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES4-B	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oris ATCC 33573	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES14B-3A	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES9-3	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oris RPG	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Veroralis ATCC 33779	n/a		Brondz and Olsen, 1991
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016
Bacteria	Wolinella Curva CCUG 13146 (ATCC 35224)	n/a		Brondz and Olsen, 1991
Bacteria	Wolinella Recta FDC 371 (ATCC 33238)	n/a		Brondz and Olsen, 1991
Bacteria	Wolinella Succinogenes CCUG 12550 (ATCC 29543)	n/a		Brondz and Olsen, 1991
Fungi	Lentinula Edodes	na	na	Ã‡aÄŸlarÄ±rmak et al., 2007
Fungi	Pleurotus Sajor-caju	na	na	Ã‡aÄŸlarÄ±rmak et al., 2007
Fungi	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	SÃ¡nchez-Ortiz et al., 2016
Bacteria	Bacillus Strain D13	antibacterial	soil Malaysia and Tibet, China General Microbial culture center CGMCC	Xie et al. 2016
Fungi	Pleurotus Cystidiosus	na	na	Usami et al., 2014
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacteroides Fragilis ATCC 25285	n/a	n/a
Bacteria	Bacteroides Gracilis CCUG 13143 (ATCC 33236)	n/a	n/a
Bacteria	Bacteroides Ureolyticus CCUG 7319 (ATCC 33387)	n/a	n/a
Bacteria	Campylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)	n/a	n/a
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 181 (H 11a-e)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 182 (BN 11a-f)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 370 (ATCC 35406)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 412	n/a	n/a
Bacteria	Prevotella Buccae ATCC 33574	n/a	n/a
Bacteria	Prevotella Buccae ES12-B	n/a	n/a
Bacteria	Prevotella Buccae ES17-1	n/a	n/a
Bacteria	Prevotella Buccae ES9-1	n/a	n/a
Bacteria	Prevotella Disiens DSM 20516	n/a	n/a
Bacteria	Prevotella Heparinolyticus ATCC 35895	n/a	n/a
Bacteria	Prevotella Oralis ES14B-3A	n/a	n/a
Bacteria	Prevotella Oralis ES15-2	n/a	n/a
Bacteria	Prevotella Oralis ES4-B	n/a	n/a
Bacteria	Prevotella Oris ATCC 33573	n/a	n/a
Bacteria	Prevotella Oris ES14B-3A	n/a	n/a
Bacteria	Prevotella Oris ES9-3	n/a	n/a
Bacteria	Prevotella Oris RPG	n/a	n/a
Bacteria	Prevotella Veroralis ATCC 33779	n/a	n/a
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No
Bacteria	Wolinella Curva CCUG 13146 (ATCC 35224)	n/a	n/a
Bacteria	Wolinella Recta FDC 371 (ATCC 33238)	n/a	n/a
Bacteria	Wolinella Succinogenes CCUG 12550 (ATCC 29543)	n/a	n/a
Fungi	Lentinula Edodes	na	GC/MS	No
Fungi	Pleurotus Sajor-caju	na	GC/MS	No
Fungi	Xylaria Sp.	PDA medium	SPME-GC/MS	Yes
Bacteria	Bacillus Strain D13	LB	SPME-GC-MS	yes
Fungi	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	No
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No

Phthalic Acid

Mass-Spectra

Compound Details

Synonymous names

BENZENEDICARBOXYLICACID

Naphthalinate

o-Benzenedicarboxylate

PHTHALICACID

Alizarinate

Phthalinate

Naphthalinic acid

o-benzenedicarboxylic acid

o-Carboxybenzoate

o-dicarboxybenzene

Orthophthalic acid

XNGIFLGASWRNHJ-UHFFFAOYSA-N

Acide phtalique

Alizarinic acid

Kyselina ftalova

Phthalinic acid

phthals

Pathalic acid

phthalic acid

o-Carboxybenzoic acid

Pathalc acd

phthalsäure

ortho-phthalic acid

4kww

AC1L1AJQ

AC1Q1HCJ

Phthalate standard for IC

Phthalic acid, analytical standard

o-phthalic acid

1,2-benzenedicarboxylic acid

3,4-benzenedicarboxylic acid

CHEMBL1045

PHTHALIC ACID, ACS

SCHEMBL1808

Sunftal 20

Acide phtalique [French]

Kyselina ftalova [Czech]

s164

ACMC-209qya

NSC5348

6O7F7IX66E

H2983

HMDB02107

P0287

WLN: QVR BVQ

ZINC90750

benzene-1,2-dicarboxylic acid

DB02746

Phthalic acid, ~99%

RP22870

bmse000391

C01606

CCRIS 1446

HMS3039E17

HMS3604J03

HSDB 1339

Phthalic acid, European Pharmacopoeia (EP) Reference Standard

UNII-6O7F7IX66E

AK116685

BBL023724

DTXSID8021484

LS-1890

NSC 5348

NSC-5348

OR025173

OR183112

OR253495

OR331083

SBB058481

STL168879

benzene-1,2-dioic acid

CHEBI:29069

DSSTox_CID_1484

Phthalic acid, United States Pharmacopeia (USP) Reference Standard

AB1002491

AC-14464

AJ-10847

AN-20569

AN-24158

ANW-39200

BP-21159

DSSTox_GSID_21484

KB-59631

SC-67693

SC-74953

BDBM50080272

DSSTox_RID_76178

MFCD00002467

PHTHALIC ACID (CARBOXYL-13C)

AI3-02409

RTR-027988

ST24031536

ST50192167

AKOS000118898

I01-7091

J-523870

Phthalic acid, 99.5%

Phthalic acid, reagent grade, 98%

Z57127456

BRN 0608199

FT-0622644

MLS002152931

SMR001224528

88-99-3

1,2-Propylene glycol, bis(isooctyl phthalate)

Tox21_200915

3B1-008717

F3110-2832

CAS-88-99-3

4401-64-3

MCULE-4747891013

NCGC00090869-01

NCGC00090869-02

NCGC00258469-01

Phthalic acid, ACS reagent, >=99.5%

EINECS 201-873-2

Phthalic acid, SAJ special grade, >=99.0%

Phthalic acid, SAJ first grade, >=99.0%

Phthalic acid, Vetec(TM) reagent grade, 98%

1,2-Benzenedicarboxylic acid, 1-methyl-1,2-ethanediyl diisooctyl ester

MolPort-000-690-820

21176-EP2269988A2

21176-EP2270008A1

21176-EP2275413A1

21176-EP2284165A1

21176-EP2284178A2

21176-EP2284179A2

21176-EP2287156A1

21176-EP2292597A1

21176-EP2292617A1

21176-EP2295406A1

21176-EP2295438A1

21176-EP2298731A1

21176-EP2301924A1

21176-EP2301940A1

21176-EP2305219A1

21176-EP2305248A1

21176-EP2305663A1

21176-EP2305672A1

21176-EP2311807A1

21176-EP2311815A1

21176-EP2311824A1

21176-EP2314295A1

21176-EP2371805A1

21176-EP2374780A1

21176-EP2374781A1

21176-EP2374895A1

AB-131/40237186

827-27-0 (mono-hydrochloride salt)

10197-71-4 (hydrochloride salt)

877-24-7 (mono-potassium salt)

29801-94-3 (potassium salt)

15968-01-1 (di-hydrochloride salt)

4409-98-7 (di-potassium salt)

5793-85-1 (mono-calcium salt)

15656-86-7 (mono-barium salt)

33227-10-0 (mono-Ru salt)

4-09-00-03167 (Beilstein Handbook Reference)

Phthalic acid, ACS, 99.5% min. 100g

Phthalic acid, puriss. p.a., >=99.5% (T)

6838-85-3 (mono-lead(2+) salt)

InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12

Microorganism:

Yes

IUPAC name

phthalic acid

SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)O

Inchi

InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)

Formula

C₆H₄(COOH)₂

PubChem ID

1017

Molweight

166.132

LogP

1.29

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Benzenoids Acids carboxylic acids

mVOC Specific Details

Volatilization

The Henry's Law constant for phthalic acid is estimated as 2X10-11 atm-cu m/mole(SRC) derived from its vapor pressure, 6.36X10-7 mm Hg(1), and water solubility, 6965 mg/L(2). This Henry's Law constant indicates that phthalic acid is expected to be essentially nonvolatile from water surfaces(3). Phthalic acid's Henry's Law constant indicates that volatilization from moist soil surfaces will not occur(SRC). Phthalic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical And Thermodynamic Properties of Pure Chemicals: Data Compilation, Supplement 1 (1991) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 456 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc values were determined for an acidic forest soil (Podzol, 4.85% organic carbon, pH 2.8), an agricultural soil (Alfisol, 1.25% organic carbon, pH 6.7) and a sublimnic soil (sediment from Lake Constance, Germany, 1.58% organic carbon, pH 7.1) as 31, 2 and 2, respectively(1). According to a classification scheme(2), these Koc values suggest that phthalic acid is expected to have very high mobility in soil. Phthalic acid adsorbs strongly to aluminum and iron oxides via a surface ligand exchange reaction(3). Adsorptivity is sensitive to pH; for aluminum oxide the fraction absorbed is >0.8 below pH 6 and falls below 0.1 above pH 7.5(3).
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Ainsworth CC et al; pp 125-44 in Sorption and Degradation of Pesticides in Soil Sci Soc Spec Publ 32 (1993)

Vapor Pressure

Pressure	Reference
6.36X10-7 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 5728 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

MS-MS Spectrum 201840

MS-MS Spectrum 2005 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5725 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 5726 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 5727 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 5729 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative

MS-MS Spectrum 2006 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2004 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Pseudomonas Putida BP25	na	black pepper root	Sheoran et al., 2015
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Fungi	Lentinula Edodes	na	na	Ã‡aÄŸlarÄ±rmak et al., 2007
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
N/a	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Pseudomonas Putida BP25	Luria Bertani Agar	Solvent extraction with hexane, GC/MS	No
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Lentinula Edodes	na	GC/MS	No
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
N/a	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No

Octadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names

Heptadecanecarboxylic acid

octadecanoicacid

Octadecansaeure

Oktadekansaeure

Stearinsaeure

Stearophanate

1-Heptadecanecarboxylate

acide octadecanoique

Industrene

Jinhwagwangsu Bubble

Prodhygine

Stearicacid

Acidum stearinicul

Dermarone

Hystrene

Jinhwagwangsu Hair

Octadecanoic acid

Promulsin

QIQXTHQIDYTFRH-UHFFFAOYSA-N

Stearate

Stearophanic acid

acide stearique

Cetylacetic acid

n-Octadecanoate

octadecoic acid

Stearex

Tsubaki

Vanicol

1-Heptadecanecarboxylic acid

Lunac

Pearl stearic

Proviscol wax

Stearex Beads

Stearic acid_ravikumar

Barolub FTA

Edenor FHTI

Flexichem B

Industrene R

N-octadecanoic acidd

STE

stearic acid

Steric acid

Glycon DP

Glycon TP

Humko Industrene R

Isostearic acid EX

n-Octadecanoic acid

n-Octadecylic acid

Stearic Acid Cherry

Stearic Acid Triple-Pressed

Triple Pressed Stearic Acid

1hmr

1hmt

4fnn

Kiri stearic acid

Lunac YA

Obeo Baby Bubble

Vis-Plus

Stearic Acid & Glycerin

Stearic acid, analytical standard

17FA

3v2p

SCHEMBL659

Stearic Acid NF Powder

AC1Q2W3T

Hystrene 80

4ELV7Z65AP

ACMC-1AR8K

Bonderlube 235

Edenor C18

Groco 55L

Stearic acid, pure

Sunfat 18S

Tegostearic 254

Tegostearic 255

Tegostearic 272

WO 2

875D

AC1L1K05

AC1Q2W39

E570

Edenor ST 1

Emersol 153NF

Groco 54

Groco 55

Groco 58

Groco 59

GTPL3377

Haimaric MKH(R)

Hystrene 9718NFFG

I727

KSC269I2T

Lunac 30

Nonsoul SK 1

Stearic acid, CP

Stearic Acid, High Purity

CHEMBL46403

Emersol 120

Emersol 132

Emersol 150

Emersol 153

Emersol 871

Emersol 875

Emery 875D

Formula 300

Hystrene 9718NF

Industrene 4518

Industrene 5016

Industrene 5016K

Industrene 8718

Industrene 9018

Pristerene 4900

Pristerene 4904

Pristerene 4963

Pristerene 9429

Pristerene 9559

Selosol 920

UNII-4ELV7Z65AP

CTK1G9429

Edenor ST 20

Emery 871

HMDB00827

Hydrofol 1895

Hydrofol Acid 150

Hystrene 4516

Hystrene 5016

Hystrene 7018

Hystrene 9718

Hystrene S 97

Hystrene S-97

Hystrene T 70

Hystrene T-70

Kortacid 1895

Lunac S 90KC

Prisorine 3501

Prisorine 3502

Prisorine 3508

Radiacid 0427

S0163

Serfax MT 90

Stearic Acid - Triple Pressed

Stearic Acid (Fragrance Grade)

Stearic acid, puriss.

Century 1210

Century 1220

Century 1224

Century 1230

Century 1240

Dar-chem 14

DB03193

Emersol 6349

Glycon S-70

Glycon S-80

Glycon S-90

Loxiol G 20

Lunac S 20

Lunac S 30

Lunac S 40

Lunac S 50

Lunac S 90

Lunac S 98

NAA 173

NE10227

Neo-Fat 18

NSC25956

Octadecanoic acid (9CI)

PD 185

Prifac 2918

RL04156

SA 200

Stearic Acid 110

Stearic Acid 120

Stearic Acid 420

Stearic Acid High Purity 90%

Stearic acid, >=98%

Unimac 5680

Unister NAA 180

VLZ 200

bmse000485

C-Lube 10

C01530

C18:0

CCRIS 2305

D00119

G 270

HSDB 2000

Hydrofol acid 1655

Hydrofol acid 1855

Hydrofol Acid 1895

Industrene 7018 FG

S 300

Stearic Acid - High Purity

Stearic Acid (Powder/Beads/Flakes)

Stearic acid (TN)

WLN: QV17

AK109520

BBL012224

BC207369

DTXSID8021642

Edenor HT-JG 60

FA 1655

Hystrene 7018 FG

Kam 1000

Kam 2000

Kam 3000

LP093764

LS-1388

SBB060276

ST023799

Stearic acid [USAN:JAN]

Stearic acid, European Pharmacopoeia (EP) Reference Standard

STL163565

T16-55F

A 1760

AFCO-Chem B 65

CHEBI:28842

DSSTox_CID_1642

Stearic acid (8CI)

Stearic acid [JAN:NF]

Stearic Acid 153 NF

Stearic Acid, pharmaceutical secondary standard; traceable to USP and PhEur

ZINC4978673

AB1002380

AN-23575

ANW-13575

Caswell No. 801D

DSSTox_GSID_21642

F 3 (lubricant)

LS-85169

Neo-Fat 18-S

NSC 25956

NSC-25956

SC-81164

ST2419874

Stearic Acid High Purity 90% V

Stearic acid, certified reference material, TraceCERT(R)

Stearic acid, United States Pharmacopeia (USP) Reference Standard

(1-14c)octadecanoic acid

Adeka Fatty Acid SA 910

BB_NC-2187

BDBM50240485

DSSTox_RID_76256

HY-Phi 1199

HY-Phi 1205

HY-Phi 1303

HY-Phi 1401

Hystrene 9718 NF FG

LMFA01010018

MFCD00002752

Stearic Acid - 65%

Stearic Acid - 70%

UNII-X33R8U0062 component QIQXTHQIDYTFRH-UHFFFAOYSA-N

AI3-00909

NSC 261168

RTR-021907

Stearic Acid Flake 132 NF Flake

TR-021907

AKOS005716958

EPA Pesticide Chemical Code 079082

Nonsoul SN 1 (*Sodium salt*)

Stearic acid, reagent grade, 95%

BRN 0608585

Edenor C 18/98

FEMA No. 3035

FT-0689088

Melting Point Standard 69-71C, analytical standard

Neo-Fat 18-53

Neo-Fat 18-54

Neo-Fat 18-55

Neo-Fat 18-59

Neo-Fat 18-61

Stearic acid (JP15/NF)

Stearic acid (JP17/NF)

STEARIC ACID, U.S.P.

WO 2 (fatty acid)

57-11-4

I04-10522

Z955123678

Agar Agar Type K-100 NF

Emersol 110 (Salt/Mix)

Fatty acids, C16-20

Hydrofol Acid 150 (VAN)

Stearic Acid 400 (Rubber Grade)

Tox21_111154

Tox21_201887

Tox21_300562

C18:0 (Lipid numbers)

CH3-[CH2]16-COOH

Emery 400 (Salt/Mix)

F0001-1489

400JB9103-88

CAS-57-11-4

S 300 (fatty acid)

SA 400 (fatty acid)

SNA-2000 (*Sodium salt*)

8013-28-3

8023-06-1

8037-40-9

8037-83-0

8039-51-8

8039-52-9

8039-53-0

8039-54-1

MCULE-5127577640

NCGC00091596-01

NCGC00091596-02

NCGC00091596-03

NCGC00091596-04

NCGC00091596-05

NCGC00254456-01

NCGC00259436-01

EINECS 200-313-4

EINECS 250-178-0

EINECS 273-087-8

Stearic acid, >=95%, FCC, FG

Stearic acid, technical, 90% 1kg

39390-61-9

57485-56-0

58392-66-8

68937-76-8

82497-27-6

Stearic acid 50, tested according to Ph.Eur.

Stearic acid, SAJ special grade, >=95.0%

SR-01000944717

Stearic acid, SAJ first grade, >=90.0%

Stearic acid, Vetec(TM) reagent grade, 94%

Tox21_111154_1

Vegetable Stearic Acid 7036 FG, Kosher, NF

126539-56-8

134503-33-6

135152-99-7

197923-10-7

294203-07-9

294203-15-9

609343-71-7

MolPort-002-317-291

1245726-94-6

S 30C S 30C (fatty acid)

Stearic acid, SAJ first grade, >=90.0%, powder

SR-01000944717-1

Stearic acid, Grade I, >=98.5% (capillary GC)

Stearic acid, puriss., >=98.5% (GC)

4-02-00-01206 (Beilstein Handbook Reference)

CD7993EA-AD14-452A-A907-33376CC98790

InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20

Microorganism:

Yes

IUPAC name

octadecanoic acid

SMILES

CCCCCCCCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

Formula

CH₃(CH₂)₁₆COOH

PubChem ID

5281

Molweight

284.484

LogP

7.15

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Volatilization

An estimated pKa of 4.7(1) indicates stearic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Stearic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.3X10-8 mm Hg at 25 deg C(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 5, 2008. (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Domination. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Pub. Corp 4 Vol (1989)

Soil Adsorption

The Koc of undissociated stearic acid is estimated as 710,000(SRC), using a log Kow of 8.23(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated stearic acid is expected to be immobile in soil. The estimated pKa of stearic acid is 4.75(4), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). However, the adsorption of stearate, the anion of stearic acid, was determined using relatively nonpolar marine sediment sand surfaces: anoxic clastic mud from Cape Lookout Bight, NC (3.5 g/g organic carbon, clay), fine carbonate beach sand from Kahana Stream, Oahu, HI (1.3 g/g organic carbon, fine sand and silty clay), and a fine carbonate sand from Waimanalo Beach, Oahu, HI (0.17 g/g organic carbon, fine-very fein sand)(6) Stearate exhibited Kds of 210, 140 and 36, respectively; overall averaging 99% adsorption(6).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 5, 2008. (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (6) Sansone FJ et al; Geochimica et Cosmochimica Acta 51: 1889-96 (1987)

Vapor Pressure

Pressure	Reference
4.28X10-8 mm Hg at 25 deg C (est)	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

1D-NMR-Links

1D NMR Spectrum 4943

1D NMR Spectrum 2484 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 4942

1D NMR Spectrum 1558 - Varian 500 MHz 1H NMR

1D NMR Spectrum 3180 - Varian 25.16 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Alpha Proteobacteria Group	Stimulation of oviposition, directing egg laying to favorable habitat of Aedes aegypti.		Ponnusamy et al., 2008
Bacteria	Bacteroides Gracilis CCUG 13143 (ATCC 33236)	n/a		Brondz and Olsen, 1991
Bacteria	Bacteroides Ureolyticus CCUG 7319 (ATCC 33387)	n/a		Brondz and Olsen, 1991
Bacteria	Campylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)	n/a		Brondz and Olsen, 1991
Bacteria	Gamma Proteobacteria	Stimulation of oviposition, directing egg laying to favorable habitat of Aedes aegypti.		Ponnusamy et al., 2008
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Bacteria	Wolinella Curva CCUG 13146 (35224)	n/a		Brondz and Olsen, 1991
Bacteria	Wolinella Recta FDC 371 (ATCC 33238)	n/a		Brondz and Olsen, 1991
Bacteria	Wolinella Succinogenes CCUG 12550 (ATCC 29543)	n/a		Brondz and Olsen, 1991
Fungi	Pleurotus Ostreatus	na	na	Ã‡aÄŸlarÄ±rmak et al., 2007
Fungi	Pleurotus Sajor-caju	na	na	Ã‡aÄŸlarÄ±rmak et al., 2007
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Alpha Proteobacteria Group	n/a	n/a
Bacteria	Bacteroides Gracilis CCUG 13143 (ATCC 33236)	n/a	n/a
Bacteria	Bacteroides Ureolyticus CCUG 7319 (ATCC 33387)	n/a	n/a
Bacteria	Campylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)	n/a	n/a
Bacteria	Gamma Proteobacteria	n/a	n/a
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Wolinella Curva CCUG 13146 (35224)	n/a	n/a
Bacteria	Wolinella Recta FDC 371 (ATCC 33238)	n/a	n/a
Bacteria	Wolinella Succinogenes CCUG 12550 (ATCC 29543)	n/a	n/a
Fungi	Pleurotus Ostreatus	na	GC/MS	No
Fungi	Pleurotus Sajor-caju	na	GC/MS	No
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No

2-phenylethanol

Mass-Spectra

Compound Details

Synonymous names

Hydroxyethylbenzene

Phenethylalcohol

Benzeneethanol

Benzylcarbinol

Benzylmethanol

betaphenylethyl alcohol

Benzenethanol

Phenylethanol

beta-Fenethylalkohol

Phenethanol

Phenylethyl alcohol

beta-Fenylethanol

beta-Phenylethanol

Phenethyl alcohol

WRMNZCZEMHIOCP-UHFFFAOYSA-N

2-Hydroxyethylbenzene

benzene-ethanol

Benzyl carbinol

beta-Phenylethyl alcohol

Mellol

PEL

Phenyl ethyl alcohol

2-PHENYLETHANOL

.beta.-Hydroxyethylbenzene

2-Phenethanol

2-Phenylethyl alcohol

AC1Q7CJQ

AC1Q7CJR

beta-PEA

2-Phenethyl alcohol

ACMC-1AZIH

b-pea

Phenethyl Alcohol-d5

Phenyl Ethanol(Natural)

.beta.-Fenethylalkohol

.beta.-Fenylethanol

.beta.-Phenylethanol

2-phenyl ethanol

2-PHENYL-ETHANOL

AC1L1LP9

AC1Q1HG6

beta-Fenethylalkohol [Czech]

.beta.-Phenethanol

.beta.-Phenylethyl alcohol

2-PEA

Methanol, benzyl-

Phenethyl alcohol (natural)

Phenylethyl Alcohol, pharmaceutical secondary standard; traceable to USP

Phenylethyl, beta- alcohol

SCHEMBL1838

.beta.-Phenethyl alcohol

2-Phenylethanol, USP

beta-Fenylethanol [Czech]

KSC237A2B

Phenylethyl alcohol (USP)

S992

PHENYLETHYL, B- ALCOHOL

BDBM85807

ML9LGA7468

P0084

W6811

WLN: Q2R

.beta.-PEA

AS00558

CHEMBL448500

DB02192

NE10237

Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard

RL04267

1-Phenyl-2-ethanol

2-phenyl-1-ethanol

2-Phenylethan-1-Ol

bmse000659

C05853

D00192

HMS2093H05

HMS2233H06

HMS3374P04

HSDB 5002

UNII-ML9LGA7468

ZINC895934

2-(2-Hydroxyethyl)benzene

2-Phenylethanol, 99%

BC213746

DTXSID9026342

FEMA Number 2858

LS-2335

NSC_6054

NSC406252

NSC759116

OR034298

OR213561

OR262447

OR279817

SBB040879

STL281950

ZB015067

A832606

CHEBI:49000

DSSTox_CID_6342

Ethanol, 2-phenyl-

AC-18484

AK-59815

AN-23631

ANW-13578

Caswell No. 655C

DSSTox_GSID_26342

EBD2219942

KB-59529

Rose oil (Salt/Mix)

SC-46713

STOCK1N-73254

DSSTox_RID_78104

MFCD00002886

ZINC00895934

AI3-00744

CCG-213419

NSC 406252

NSC-406252

NSC-759116

RTR-037232

ST50214476

TR-037232

AKOS000249688

EPA Pesticide Chemical Code 001503

I01-4509

Q-200318

BRN 1905732

FEMA No. 2858

MLS001066349

MLS001336026

SMR000059156

60-12-8

Z234896351

EN300-19347

ETHYL, 2-HYDROXY-1-PHENYL-

Tox21_113544

Tox21_201322

Tox21_303383

F0001-1575

Phenethyl alcohol, >=99%, FCC, FG

.beta.-P.E.A.

CAS_60-12-8

CAS-60-12-8

1321-27-3

MCULE-8439044075

NCGC00166215-01

NCGC00166215-02

NCGC00166215-03

NCGC00166215-05

NCGC00257347-01

NCGC00258874-01

AB00698274_05

EINECS 200-456-2

Pharmakon1600-01505398

2-Phenylethanol, 98% 250g

Phenethyl alcohol, natural, >=99%, FCC, FG

SR-01000763553

Tox21_113544_1

SBI-0206858.P001

2-Phenylethanol, >=99.0% (GC)

MolPort-000-872-041

12472-EP2287158A1

12472-EP2311801A1

12472-EP2316826A1

12472-EP2372017A1

37330-EP2284157A1

37330-EP2311802A1

37330-EP2311803A1

37330-EP2371814A1

47427-EP2295426A1

47427-EP2295427A1

47427-EP2305673A1

47427-EP2308877A1

47427-EP2311834A1

47427-EP2374783A1

66877-EP2270505A1

66877-EP2281823A2

66877-EP2292612A2

66877-EP2295406A1

66877-EP2298731A1

66877-EP2298772A1

66877-EP2308839A1

196135-EP2272972A1

196135-EP2272973A1

196135-EP2277872A1

SR-01000763553-2

4-06-00-03067 (Beilstein Handbook Reference)

0DE4CADC-AB8A-4038-BD6F-EBD009885652

InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H

Microorganism:

Yes

IUPAC name

2-phenylethanol

SMILES

C1=CC=C(C=C1)CCO

Inchi

InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

Formula

C₈H₁₀O

PubChem ID

6054

Molweight

122.167

LogP

1.49

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Benzenoids Alcohols Alcohol

mVOC Specific Details

Volatilization

The Henry's Law constant for 2-phenylethanol estimated from its vapor pressure, 0.0868 mm Hg at 25 deg C(1), and water solubility, 16,000 mg/L(2), is 1.5X10-7 atm-cu m/mol(SRC). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 2-phenylethanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 46.5 days(3,SRC). 2-Phenylethanol's relatively low Henry's Law constant and vapor pressure suggest that volatilization from moist and dry soil surfaces will be minimal(SRC).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982)

Soil Adsorption

Using an estimation method based on molecular connectivity indices(1), the Koc for 2-phenylethanol is estimated to be 29(SRC). According to a suggested classification scheme(2), this Koc value suggests that 2-phenylethanol will have very high mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
8.68X10-2 mm Hg @ 25 deg C /from experimentally derived coefficients/	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Staphylococcus Aureus		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Staphylococcus Aureus	n/a		Preti et. al., 2009
Fungi	Aspergillus Sp.			Seifert and Kling 1982
Fungi	Chaetomium Globosum			Kikuchi et al. 1983
Fungi	Fusarium Sp.			Takeuchi et al. 2012
Fungi	Hypoxylon Anthochroum			Ulloa-Benitez et al. 2016
Fungi	Lasiodiplodia Theobromae			Matsumoto and Nago 1994
Fungi	Penicillium Spp			Brock and Dickschat 2013
Fungi	Trichoderman Sp.			Stoppacher et al. 2010
Fungi	Tuber Spp			Splivallo et al. 2007
Bacteria	Arctic Bacterium	n/a		Schulz and Dickschat, 2007
Bacteria	Bacillus Cereus B-569	n/a		Blom et al., 2011
Bacteria	Burkholderia Andropogonis LMG 2129	n/a		Blom et al., 2011
Bacteria	Burkholderia Caledonica LMG 19076	n/a		Blom et al., 2011
Bacteria	Burkholderia Caribensis LMG 18531	n/a		Blom et al., 2011
Bacteria	Burkholderia Caryophylli LMG 2155	n/a		Blom et al., 2011
Bacteria	Burkholderia Cepacia LMG 1222	n/a		Blom et al., 2011
Bacteria	Burkholderia Cepacia LMG 1222 358		Rhizosphere	Blom et al., 2011
Bacteria	Burkholderia Fungorum LMG 16225	n/a		Blom et al., 2011
Bacteria	Burkholderia Gladioli LMG 2216	n/a		Blom et al., 2011
Bacteria	Burkholderia Glumae LMG 2196	n/a		Blom et al., 2011
Bacteria	Burkholderia Graminis LMG 18924	n/a		Blom et al., 2011
Bacteria	Burkholderia Hospita LMG 20598	n/a		Blom et al., 2011
Bacteria	Burkholderia Kururiensis LMG 19447	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 6993	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenazinium LMG 2247	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenoliruptrix LMG 22037	n/a		Blom et al., 2011
Bacteria	Burkholderia Phytofirmans LMG 22487	n/a		Blom et al., 2011
Bacteria	Burkholderia Pyrrocinia LMG 21822	n/a		Blom et al., 2011
Bacteria	Burkholderia Sacchari LMG 19450	n/a		Blom et al., 2011
Bacteria	Burkholderia Sordidicola LMG 22029	n/a		Blom et al., 2011
Bacteria	Burkholderia Terricola LMG 20594	n/a		Blom et al., 2011
Bacteria	Burkholderia Thailandensis LMG 20219	n/a		Blom et al., 2011
Bacteria	Burkholderia Xenovorans LMG 21463	n/a		Blom et al., 2011
Bacteria	Cellulomonas Uda	n/a		Blom et al., 2011
Bacteria	Chondromyces Crocatus Cm C2	n/a		Schulz et al., 2004
Bacteria	Chondromyces Crocatus Cm C5	n/a		Schulz et al., 2004
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Citrobacter Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Corynebacterium Accolens V12028		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Jeikeum V12131		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Jeikeum V12209		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Minutissimum ATCC 23348		clinical isolate,trunk of adult female	Lemfack et al. 2016
Bacteria	Corynebacterium Striatum RV2		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Striatum V6894		clinical isolate	Lemfack et al. 2016
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267	n/a		Dickschat et al., 2005_3
Bacteria	Dinoroseobacter Shibae Strain DFL-27	n/a		Dickschat et al., 2005_4
Bacteria	Enterobacter Agglomerans			Robacker and Lauzon 2002
Bacteria	Enterobacter Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Escherichia Coli ATCC43895		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Escherichia Coli OP50	n/a		Blom et al., 2011
Bacteria	Escherichia Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Klebsiella Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Casei NCIB 8010	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a		Tracey and Britz, 1989
Bacteria	Lactococcus Lactis DSM 20202	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Cremoris DSM 20346	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos B66	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 19	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 30	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 36	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 37D	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 7B	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20252	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20255	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20257	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos Lc5x	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a		Tracey and Britz, 1989
Bacteria	Loktanella Sp. Bio-204	n/a		Dickschat et al., 2005_4
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Bacteria	Mycobacterium Bovis	n/a		MCNerney et al., 2016
Bacteria	Myxobacterium Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Nannocystis Exedens Na EB37	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a		Dickschat et al., 2007
Bacteria	Pediococcus Damnosus DSM 20331	n/a		Tracey and Britz, 1989
Bacteria	Pseudomonas Fluorescens WCS 417r	n/a		Blom et al., 2011
Bacteria	Roseobacter Clade	n/a		Schulz and Dickschat, 2007
Bacteria	Salinispora Tropica CNB-440	na	marine sediment	Groenhagen et al., 2016
Bacteria	Serratia Entomophilia A1MO2	n/a		Blom et al., 2011
Bacteria	Serratia Marcescens Db11	n/a		Weise et al., 2014
Bacteria	Serratia Marcescens MG1	n/a		Blom et al., 2011
Bacteria	Serratia Odorifera DSM 4582	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica 4Rx13	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica HRO-C48	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica IC14	n/a		Blom et al., 2011
Bacteria	Serratia Proteamaculans 568	n/a		Weise et al., 2014
Bacteria	Serratia Proteamaculans B5a	n/a		Blom et al., 2011
Bacteria	Staphylococcus Schleiferi DSMZ 4807		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi H34		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri ATCC 29061		Southernflying squirrel skin	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri H4286		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri OR		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri V405		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri Y		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Xylosus	n/a		Schulz and Dickschat, 2007
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	n/a		Blom et al., 2011
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a		Dickschat et al., 2005_5
Bacteria	Stigmatella Aurantiaca Sg A15	n/a		Dickschat et al., 2005_5
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Urkholderia Kururiensis LMG 19447		Rhizosphere	Blom et al., 2011
Bacteria	Xanthomonas Campestris Pv. Vesicatoria 85-10	n/a		Weise et al., 2012
Fungi	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Aureobasidium Pullulans FN868849		apples	Davis et al. 2012
Fungi	Aureobasidium Pullulans FN868851	attracts wasps	isolated from apples (with lepidopteran orchard pests)	Davis et al., 2012
Fungi	Fusarium Sp			Pierce et al. 1991
Fungi	Penicillium Corymbiferum			Pierce et al. 1991
Fungi	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Periconia Britannica	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Saccharomyces Cerevisiae CR1	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Fungi	Scolulariopsis Brevicaulis			Pierce et al. 1991
Fungi	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism		Splivallo et al., 2007
Fungi	Tuber Indicum	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism		Splivallo et al., 2007
Fungi	Tuber Melanosporum	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism		Splivallo et al., 2007
Fungi	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Bacteria	Branhamella Catatthalis		clinic	Preti., 2009
Bacteria	Stenotrophomonas Maltophilia		clinic	Preti., 2009
Bacteria	Streptococcus Pneumoniae		clinic	Preti., 2009
Fungi	Hansenula Holstii		whole beetles, beetle guts, loblolly pine	Brand et al. 1977
Bacteria	Bacillus Simplex	n/a		Gu et al., 2007
Bacteria	Bacillus Subtilis	n/a		Gu et al., 2007
Bacteria	Bacillus Weihenstephanensis	n/a		Gu et al., 2007
Bacteria	Microbacterium Oxydans	n/a		Gu et al., 2007
Bacteria	Serratia Marcescens	n/a		Gu et al., 2007
Bacteria	Stenotrophomonas Maltophilia	n/a		Gu et al., 2007
Bacteria	Streptomyces Lateritius	n/a		Gu et al., 2007
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016
Bacteria	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Fungi	Phoma Sp.	n/a		Strobel et al., 2014
Fungi	Phomopsis Sp.	na	endophyte of Odontoglossum sp.	Singh et al., 2011
Bacteria	Serratia Plymuthica 3Re4-18	n/a		Kai et al., 2007
Bacteria	Serratia Plymuthica HRO-C48	n/a		Kai et al., 2007
Bacteria	Staphylococcus Epidermidis 2P3-18	n/a		Kai et al., 2007
Bacteria	Stenotrophomonas Rhizophila P69	n/a		Kai et al., 2007
Fungi	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Bacteria	Enterobacter Cloacae	n/a		Arnold and Senter, 1998
Bacteria	Proteus Hauseri JN092591	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Pseudomonas Aeruginosa	n/a		Arnold and Senter, 1998
Bacteria	Wautersiella Falsenii AM238687	Nematicidal activity	cow dung	XU et al., 2015
Fungi	Phellinus Sp.	n/a		Stotzky and Schenk, 1976
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Escherichia Coli DH5a	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Fungi	Ampelomyces Sp. F-a-3	na	na	Naznin et al., 2014
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Candida Sake		King George Island, South Shetland Islands, Antarctica	Arrarte et al. 2017
Fungi	Hypoxylon Antochroum Blaci	na	endophytic in Bursera lancifolia	Ulloa-BenÃtez et al., 2016
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Fungi	Phoma Sp. GS8-3	na	na	Naznin et al., 2014
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Trichoderma Atroviride			Crutcher et al., 2013
Fungi	Trichoderma Atroviride ATCC 74058	n/a		Stoppacher et al., 2010
Fungi	Trichoderma Reesei			Crutcher et al., 2013
Fungi	Trichoderma Virens			Crutcher et al., 2013
Fungi	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	SÃ¡nchez-Ortiz et al., 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Staphylococcus Aureus	blood/choclate agar	GC-Ms flame photometric detector	no
Bacteria	Staphylococcus Aureus	Blood agar/chocolate blood aga	HS-SPME/GC-MS
Fungi	Aspergillus Sp.			no
Fungi	Chaetomium Globosum			no
Fungi	Fusarium Sp.			no
Fungi	Hypoxylon Anthochroum			no
Fungi	Lasiodiplodia Theobromae			no
Fungi	Penicillium Spp			no
Fungi	Trichoderman Sp.			no
Fungi	Tuber Spp			no
Bacteria	Arctic Bacterium	n/a	n/a
Bacteria	Bacillus Cereus B-569	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Andropogonis LMG 2129	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caledonica LMG 19076	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caribensis LMG 18531	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caryophylli LMG 2155	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Cepacia LMG 1222	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Cepacia LMG 1222 358	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	Yes
Bacteria	Burkholderia Fungorum LMG 16225	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Gladioli LMG 2216	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glumae LMG 2196	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Graminis LMG 18924	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Hospita LMG 20598	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Kururiensis LMG 19447	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 6993	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenazinium LMG 2247	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenoliruptrix LMG 22037	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phytofirmans LMG 22487	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Pyrrocinia LMG 21822	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Sacchari LMG 19450	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Sordidicola LMG 22029	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Terricola LMG 20594	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Thailandensis LMG 20219	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Xenovorans LMG 21463	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Cellulomonas Uda	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chondromyces Crocatus Cm C2	n/a	n/a
Bacteria	Chondromyces Crocatus Cm C5	n/a	n/a
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Citrobacter Sp.	n/a	n/a
Bacteria	Corynebacterium Accolens V12028	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Jeikeum V12131	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Jeikeum V12209	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Minutissimum ATCC 23348	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Striatum RV2	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Striatum V6894	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267	n/a	n/a
Bacteria	Dinoroseobacter Shibae Strain DFL-27	n/a	n/a
Bacteria	Enterobacter Agglomerans			no
Bacteria	Enterobacter Spp.	n/a	n/a
Bacteria	Escherichia Coli ATCC43895	TS broth	GC-MS Super Q	no
Bacteria	Escherichia Coli OP50	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Escherichia Sp.	n/a	n/a
Bacteria	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Klebsiella Sp.	n/a	n/a
Bacteria	Lactobacillus Casei NCIB 8010	n/a	n/a
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a	n/a
Bacteria	Lactococcus Lactis DSM 20202	n/a	n/a
Bacteria	Leuconostoc Cremoris DSM 20346	n/a	n/a
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a	n/a
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a	n/a
Bacteria	Leuconostoc Oenos B66	n/a	n/a
Bacteria	Leuconostoc Oenos 19	n/a	n/a
Bacteria	Leuconostoc Oenos 30	n/a	n/a
Bacteria	Leuconostoc Oenos 36	n/a	n/a
Bacteria	Leuconostoc Oenos 37D	n/a	n/a
Bacteria	Leuconostoc Oenos 7B	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20252	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20255	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20257	n/a	n/a
Bacteria	Leuconostoc Oenos Lc5x	n/a	n/a
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a	n/a
Bacteria	Loktanella Sp. Bio-204	n/a	n/a
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.
Bacteria	Myxobacterium Spp.	n/a	n/a
Bacteria	Nannocystis Exedens Na EB37	n/a	n/a
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a	n/a
Bacteria	Pediococcus Damnosus DSM 20331	n/a	n/a
Bacteria	Pseudomonas Fluorescens WCS 417r	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Roseobacter Clade	n/a	n/a
Bacteria	Salinispora Tropica CNB-440	seawater-based A1	GC/MS
Bacteria	Serratia Entomophilia A1MO2	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Marcescens Db11	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Marcescens MG1	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Odorifera DSM 4582	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica 4Rx13	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica HRO-C48	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica IC14	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Proteamaculans 568	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Proteamaculans B5a	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Staphylococcus Schleiferi DSMZ 4807	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi H34	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri ATCC 29061	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri H4286	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri OR	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri V405	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri Y	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Xylosus	n/a	n/a
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a	n/a
Bacteria	Stigmatella Aurantiaca Sg A15	n/a	n/a
Bacteria	Streptomyces Albidoflavus AMI 246	n/a	n/a
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a	n/a
Bacteria	Streptomyces Griseus ATCC 23345	n/a	n/a
Bacteria	Streptomyces Griseus IFO 13849	n/a	n/a
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a	n/a
Bacteria	Streptomyces Hirsutus ETH 1666	n/a	n/a
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a	n/a
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a	n/a
Bacteria	Streptomyces Murinus DSM 40091	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 6445	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 7437	n/a	n/a
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a	n/a
Bacteria	Urkholderia Kururiensis LMG 19447	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	Yes
Bacteria	Xanthomonas Campestris Pv. Vesicatoria 85-10	NBII	Closed airflow-system/GC-MS and PTR-MS
Fungi	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Aureobasidium Pullulans FN868849	Sabouraud dextrose agar	GC-MS	yes
Fungi	Aureobasidium Pullulans FN868851	Sabouraud Dextrose Agar	GC/FID	Yes
Fungi	Fusarium Sp		GC-FID	yes
Fungi	Penicillium Corymbiferum		GC-FID	yes
Fungi	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Periconia Britannica	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Saccharomyces Cerevisiae CR1	YEPDA	GC/MS	no
Fungi	Scolulariopsis Brevicaulis		GC-FID	yes
Fungi	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	n/a
Fungi	Tuber Indicum	n/a	n/a
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Bacteria	Branhamella Catatthalis	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Bacteria	Stenotrophomonas Maltophilia	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Bacteria	Streptococcus Pneumoniae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Fungi	Hansenula Holstii	PYG	GC-MS	no
Bacteria	Bacillus Simplex	n/a	n/a
Bacteria	Bacillus Subtilis	n/a	n/a
Bacteria	Bacillus Weihenstephanensis	n/a	n/a
Bacteria	Microbacterium Oxydans	n/a	n/a
Bacteria	Serratia Marcescens	n/a	n/a
Bacteria	Stenotrophomonas Maltophilia	n/a	n/a
Bacteria	Streptomyces Lateritius	n/a	n/a
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No
Bacteria	Staphylococcus Sciuri	877 liquid medium	SPME-GC/MS
Fungi	Phoma Sp.	n/a	Solid phase microextraction (SPME)
Fungi	Phomopsis Sp.	PDA medium	SPME-GC/MS	Yes
Bacteria	Serratia Plymuthica 3Re4-18	n/a	n/a
Bacteria	Serratia Plymuthica HRO-C48	n/a	n/a
Bacteria	Staphylococcus Epidermidis 2P3-18	n/a	n/a
Bacteria	Stenotrophomonas Rhizophila P69	n/a	n/a
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)
Bacteria	Enterobacter Cloacae		HS-SPME/GC-MS
Bacteria	Proteus Hauseri JN092591	LB liquid	SPME-GC/MS
Bacteria	Pseudomonas Aeruginosa		HS-SPME/GC-MS
Bacteria	Wautersiella Falsenii AM238687	LB liquid	SPME-GC/MS
Fungi	Phellinus Sp.	n/a	n/a
Fungi	Tuber Aestivum	n/a	n/a
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Escherichia Coli DH5a	TSA	SPME-GC	no
Fungi	Ampelomyces Sp. F-a-3	na	SPME-GC/MS	No
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Candida Sake	Yeast Nitrogen base with 1% pectin	SPME / GCMS	no
Fungi	Hypoxylon Antochroum Blaci	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	Yes
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS
Fungi	Phoma Sp. GS8-3	na	SPME-GC/MS	No
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Fungi	Trichoderma Atroviride ATCC 74058	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Fungi	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Fungi	Xylaria Sp.	PDA medium	SPME-GC/MS	Yes

Heptadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names

HEPTADECANOICACID

Margarinsaeure

Normal-heptadecanoate

margarinate

margaroate

Heptadecanoic acic

HEPTADECANOIC ACID

Heptadecylic acid

KEMQGTRYUADPNZ-UHFFFAOYSA-N

heptadecansäure

heptadecoic acid

Margarinic acid

n-heptadecylate

Normal-heptadecanoic acid

Margaric acid

margaroic acid

n-heptadecoate

n-Heptadecanoic acid

n-Heptadecoic acid

n-Heptadecylic acid

n-Margaric acid

AC1L1V9A

SCHEMBL5941

Heptadecanoic acid, >=98%

6978AB

ACMC-1AV19

Heptadecanoic acid, 98%

NSC3743

CTK1G9600

HMDB02259

V987Y9OZ8L

Lead(2+) heptadecanoate

NE10226

C17:0

UNII-V987Y9OZ8L

WLN: QV16

AK113469

BBL013181

CHEMBL1172910

DTXSID5021596

LP002618

NSC 3743

NSC-3743

SBB060275

STL163960

CHEBI:32365

DSSTox_CID_1596

AN-21453

ANW-31064

BP-30092

DSSTox_GSID_28306

LS-74182

(C16-C18)Alkylcarboxylic acid

BB_NC-2293

DSSTox_RID_78651

LMFA01010017

MFCD00002751

ZINC24805047

AI3-36481

C14-C22 Fatty acid residue

CS-W004284

KB-254211

RTR-018080

ST24030752

ST51046494

TR-018080

AKOS005716689

I04-1636

BRN 1781004

FT-0628169

(C16-C18) Alkylcarboxylic acid

Fatty acids, C14-22

Fatty acids, C16-18

Tox21_202550

17:0 (Lipid numbers)

506-12-7

CH3-[CH2]15-COOH

Z1259273384

1338-46-1

7722-21-6

8000-11-1

8034-56-8

8034-57-9

8034-58-0

8037-82-9

8043-36-5

MCULE-9357391090

NCGC00260099-01

EINECS 208-027-1

EINECS 264-123-3

EINECS 266-928-5

EINECS 270-298-7

28829-31-4

37231-04-2

39390-60-8

45237-51-2

45237-52-3

52051-63-5

67255-22-5

68424-37-3

SDA 19-005-00

176435-16-8

736166-71-5

CAS-67701-03-5

MolPort-003-935-603

1002-82-0 (hydrochloride salt)

17378-36-8 (potassium salt)

8EBAABCC-09B2-43FB-945D-A70E5905BFBE

4-02-00-01193 (Beilstein Handbook Reference)

Microorganism:

Yes

IUPAC name

heptadecanoic acid

SMILES

CCCCCCCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)

Formula

C₁₇H₃₄O₂

PubChem ID

10465

Molweight

270.457

LogP

6.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

MS-Links

MS-MS Spectrum 202726

MS-MS Spectrum 202721

MS-MS Spectrum 32180

MS-MS Spectrum 25624

MS-MS Spectrum 202727

MS-MS Spectrum 25622

MS-MS Spectrum 202725

MS-MS Spectrum 32182

MS-MS Spectrum 202729

MS-MS Spectrum 32181

MS-MS Spectrum 25623

MS-MS Spectrum 202723

MS-MS Spectrum 202728

MS-MS Spectrum 202722

MS-MS Spectrum 202724

1D-NMR-Links

1D NMR Spectrum 2413 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 1869 - Bruker 600 MHz 1H NMR

1D NMR Spectrum 3103 - Varian 25.16 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Fungi	Pleurotus Cystidiosus	na	na	Usami et al., 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Fungi	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	No

Tetradecanoic Acid

Mass-Spectra

Compound Details

Synonymous names

Myristinsaeure

Tetradecanoate

tridecanecarboxylic acid

acide tetradecanoique

myristoate

n-Tetradecanoicacid

1-Tridecanecarboxylate

Crodacid

Myristate

Tetradecanoic acid

TUNFSRHWOTWDNC-UHFFFAOYSA-N

n-Tetradecanoate

tetradecoic acid

1-tetradecanecarboxylic acid

MYRISTIC ACID

myristoic acid

1-Tridecanecarboxylic acid

n-Tetradecanoic acid

Myristic Acid Flake

Myristic acid pure

n-Tetradecoic acid

3usx

Myristic acid, analytical standard

ACMC-1AKMJ

n-Myristic acid

3v2n

3w9k

Myristic acid, natural

AC1L1WF8

AC1Q2W1A

Myristic acid, pure

Tetradecanoic (Myristic) acid

SCHEMBL6374

AC1Q2W11

GTPL2806

KSC271K5J

s161

C14 fatty acid

Myristic acid (natural)

Myristic acid, puriss.

n-tetradecan-1-oate

NSC5028

0I3V7S25AW

CTK1H1554

Emery 655

HMDB00806

Hystrene 9014

Hystrene 9514

Kortacid 1499

M0476

Myristic Acid 655

Myristic acid, pharmaceutical secondary standard; traceable to USP

Philacid 1400

CHEMBL111077

DB08231

Edenor C 14

LS-210

Myristic acid [NF]

n-Tetradecan-1-oic acid

NE10225

Neo-fat 14

Prifac 2942

Prifrac 2942

Tetradecanoic acid (9CI)

bmse000737

C06424

C14:0

CCRIS 4724

HMS3039E15

HMS3648O20

HSDB 5686

Hydrofol acid 1495

Myristic acid, 95%

UNII-0I3V7S25AW

Univol U 316S

WLN: QV13

AK114664

BT000309

DTXSID6021666

LP003932

Myristic acid (8CI)

NSC 5028

NSC-5028

SBB060024

ST023797

CHEBI:28875

DSSTox_CID_1666

Myristic acid, United States Pharmacopeia (USP) Reference Standard

ZINC1530417

AB1002562

AN-21363

ANW-32091

DSSTox_GSID_21666

BDBM50147581

DSSTox_RID_76274

LMFA01010014

MFCD00002744

AI3-15381

KB-260944

RTR-019260

ST24025989

TR-019260

AKOS009156714

Epitope ID:176772

I04-0252

Myristic acid, Sigma Grade, >=99%

W-109088

BRN 0508624

FEMA No. 2764

FT-0602832

MLS002152942

SMR001224536

EN300-78099

Tox21_201852

Tox21_302781

544-63-8

C14:0 (Lipid numbers)

CH3-[CH2]12-COOH

F8889-5016

MCULE-9671122893

Myristic acid, >=95%, FCC, FG

NCGC00091068-01

NCGC00091068-02

NCGC00091068-03

NCGC00256547-01

NCGC00259401-01

CAS-544-63-8

EINECS 208-875-2

EINECS 250-924-5

45184-05-2

Myristic acid, Vetec(TM) reagent grade, 98%

Myristic acid, >=98.0% (GC)

MolPort-001-779-744

4-02-00-01126 (Beilstein Handbook Reference)

EDAE4876-C383-4AD4-A419-10C0550931DB

Microorganism:

Yes

IUPAC name

tetradecanoic acid

SMILES

CCCCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)

Formula

C₁₄H₂₈O₂

PubChem ID

11005

Molweight

228.376

LogP

5.37

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Volatilization

A pKa of 4.90(1) indicates myristic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Myristic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.4X10-6 mm Hg(3).
Literature: (1) Barratt MD; Toxicol In Vitro 10:85-94 (1996) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Domination. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Pub. Corp 4 Vol (1989)

Soil Adsorption

The Koc of myristic acid is estimated as 50,000 fro the free acid(SRC), using a log Kow of 6.11(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated myristic acid is expected to be immobile in soil. The pKa of myristic acid is 4.90(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank, Sangster Res Lab, Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Barratt MD; Toxicol In Vitro 10:85-94 (1996) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Vapor Pressure

Pressure	Reference
1.40X10-6 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 22162

MS-MS Spectrum 201392

MS-MS Spectrum 22161

MS-MS Spectrum 4684 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 21182

MS-MS Spectrum 22735

MS-MS Spectrum 4683 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 20611

MS-MS Spectrum 4682 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 201390

MS-MS Spectrum 22734

MS-MS Spectrum 1150 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 22733

MS-MS Spectrum 201389

MS-MS Spectrum 20609

MS-MS Spectrum 21183

MS-MS Spectrum 4686 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative

MS-MS Spectrum 22160

MS-MS Spectrum 201388

MS-MS Spectrum 201391

MS-MS Spectrum 4685 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

MS-MS Spectrum 21184

MS-MS Spectrum 201387

MS-MS Spectrum 1151 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 20610

1D-NMR-Links

1D NMR Spectrum 4939

1D NMR Spectrum 4938

1D NMR Spectrum 1549 - Varian 500 MHz 1H NMR

1D NMR Spectrum 3140 - Varian 25.16 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Strain D13	antibacterial	soil Malaysia and Tibet, China General Microbial culture center CGMCC	Xie et al. 2016
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016
Fungi	Pleurotus Cystidiosus	na	na	Usami et al., 2014
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006
Bacteria	Bacteroides Fragilis ATCC 25285	n/a		Brondz and Olsen, 1991
Bacteria	Bacteroides Gracilis CCUG 13143 (ATCC 33236)	n/a		Brondz and Olsen, 1991
Bacteria	Bacteroides Ureolyticus CCUG 7319 (ATCC 33387)	n/a		Brondz and Olsen, 1991
Bacteria	Burkholderia Andropogonis LMG 2129	n/a		Blom et al., 2011
Bacteria	Burkholderia Graminis LMG 18924	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 22485	n/a		Blom et al., 2011
Bacteria	Burkholderia Pyrrocinia LMG 21822	n/a		Blom et al., 2011
Bacteria	Burkholderia Tropica LMG 22274	n/a		Blom et al., 2011
Bacteria	Campylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)	n/a		Brondz and Olsen, 1991
Bacteria	Lactobacillus Casei NCIB 8010	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a		Tracey and Britz, 1989
Bacteria	Lactococcus Lactis DSM 20202	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Cremoris DSM 20346	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos B66	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 19	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 30	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 36	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 37D	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 7B	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20252	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20255	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20257	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos Lc5x	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a		Tracey and Britz, 1989
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Bacteria	Pediococcus Damnosus DSM 20331	n/a		Tracey and Britz, 1989
Bacteria	Porphyromonas Endodontalis HG 181 (H 11a-e)	n/a		Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 182 (BN 11a-f)	n/a		Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 370 (ATCC 35406)	n/a		Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 412	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ATCC 33574	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES12-B	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES17-1	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES9-1	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Disiens DSM 20516	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Heparinolyticus ATCC 35895	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES14B-3A	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES15-2	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES4-B	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oris ATCC 33573	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES14B-3A	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES9-3	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Oris RPG	n/a		Brondz and Olsen, 1991
Bacteria	Prevotella Veroralis ATCC 33779	n/a		Brondz and Olsen, 1991
Bacteria	Pseudomonas Chlororaphis	n/a		Blom et al., 2011
Bacteria	Pseudomonas Fluorescens WCS 417r	n/a		Blom et al., 2011
Bacteria	Pseudomonas Putida ISOf	n/a		Blom et al., 2011
Bacteria	Wolinella Curva CCUG 13146 (ATCC 35224)	n/a		Brondz and Olsen, 1991
Bacteria	Wolinella Recta FDC 371 (ATCC 33238)	n/a		Brondz and Olsen, 1991
Bacteria	Wolinella Succinogenes CCUG 12550 (ATCC 29543)	n/a		Brondz and Olsen, 1991

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Strain D13	LB	SPME-GC-MS	yes
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No
Fungi	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	No
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Spongiporus Leucomallellus	na	GC/MS	No
Bacteria	Bacteroides Fragilis ATCC 25285	n/a	n/a
Bacteria	Bacteroides Gracilis CCUG 13143 (ATCC 33236)	n/a	n/a
Bacteria	Bacteroides Ureolyticus CCUG 7319 (ATCC 33387)	n/a	n/a
Bacteria	Burkholderia Andropogonis LMG 2129	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Graminis LMG 18924	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 22485	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Pyrrocinia LMG 21822	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Tropica LMG 22274	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Campylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)	n/a	n/a
Bacteria	Lactobacillus Casei NCIB 8010	n/a	n/a
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a	n/a
Bacteria	Lactococcus Lactis DSM 20202	n/a	n/a
Bacteria	Leuconostoc Cremoris DSM 20346	n/a	n/a
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a	n/a
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a	n/a
Bacteria	Leuconostoc Oenos B66	n/a	n/a
Bacteria	Leuconostoc Oenos 19	n/a	n/a
Bacteria	Leuconostoc Oenos 30	n/a	n/a
Bacteria	Leuconostoc Oenos 36	n/a	n/a
Bacteria	Leuconostoc Oenos 37D	n/a	n/a
Bacteria	Leuconostoc Oenos 7B	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20252	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20255	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20257	n/a	n/a
Bacteria	Leuconostoc Oenos Lc5x	n/a	n/a
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a	n/a
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Pediococcus Damnosus DSM 20331	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 181 (H 11a-e)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 182 (BN 11a-f)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 370 (ATCC 35406)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 412	n/a	n/a
Bacteria	Prevotella Buccae ATCC 33574	n/a	n/a
Bacteria	Prevotella Buccae ES12-B	n/a	n/a
Bacteria	Prevotella Buccae ES17-1	n/a	n/a
Bacteria	Prevotella Buccae ES9-1	n/a	n/a
Bacteria	Prevotella Disiens DSM 20516	n/a	n/a
Bacteria	Prevotella Heparinolyticus ATCC 35895	n/a	n/a
Bacteria	Prevotella Oralis ES14B-3A	n/a	n/a
Bacteria	Prevotella Oralis ES15-2	n/a	n/a
Bacteria	Prevotella Oralis ES4-B	n/a	n/a
Bacteria	Prevotella Oris ATCC 33573	n/a	n/a
Bacteria	Prevotella Oris ES14B-3A	n/a	n/a
Bacteria	Prevotella Oris ES9-3	n/a	n/a
Bacteria	Prevotella Oris RPG	n/a	n/a
Bacteria	Prevotella Veroralis ATCC 33779	n/a	n/a
Bacteria	Pseudomonas Chlororaphis	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Fluorescens WCS 417r	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Putida ISOf	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Wolinella Curva CCUG 13146 (ATCC 35224)	n/a	n/a
Bacteria	Wolinella Recta FDC 371 (ATCC 33238)	n/a	n/a
Bacteria	Wolinella Succinogenes CCUG 12550 (ATCC 29543)	n/a	n/a

Pentadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names

tetradecylcarboxylic acid

Pentadecyclate

Pentadecylic acid

WQEPLUUGTLDZJY-UHFFFAOYSA-N

Pentadecyclic acid

PENTADECANOIC ACID

pentadecansäure

n-Pentadecanoate

n-Pentadecylate

n-Pentadecanoic acid

Pentadecanoic acid, analytical standard

n-Pentadecylic acid

F15

AC1Q2W1K

SCHEMBL6311

Pentadecanoic acid, >=99%

AC1L22M2

Pentadecanoic acid, 99%

6303AF

ACMC-1C8J9

CTK0I0293

HMDB00826

P0035

CCW02D961F

CHEMBL460025

NSC28486

UNII-CCW02D961F

bmse000558

WLN: QV14

C16537

C15:0

AK126523

DTXSID2021652

LP002608

STL453783

DSSTox_CID_1652

CHEBI:42504

AN-19641

ANW-14209

AX8146974

DSSTox_GSID_21652

NSC-28486

NSC 28486

BC4157437

CC-33534

ZINC30731069

BDBM50242348

C-33594

MFCD00002745

DSSTox_RID_76264

LMFA01010015

ST51037413

KB-259210

ST24031513

RT-000231

AI3-36441

LS-101401

CS-W004283

J-000083

AKOS015903762

Pentadecanoic acid, ~99% (capillary GC)

BRN 1773831

I14-17597

Tox21_201197

NCGC00258749-01

NCGC00248954-01

MCULE-3630464562

1002-84-2

EINECS 213-693-1

CAS-1002-84-2

MolPort-001-792-028

9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C

4-02-00-01147 (Beilstein Handbook Reference)

Microorganism:

Yes

IUPAC name

pentadecanoic acid

SMILES

CCCCCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

Formula

C₁₅H₃₀O₂

PubChem ID

13849

Molweight

242.403

LogP

5.81

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

MS-Links

MS-MS Spectrum 204919

MS-MS Spectrum 44596

MS-MS Spectrum 146247

MS-MS Spectrum 146248

MS-MS Spectrum 146249

MS-MS Spectrum 204923

MS-MS Spectrum 204920

MS-MS Spectrum 204918

MS-MS Spectrum 204922

MS-MS Spectrum 44595

MS-MS Spectrum 204921

MS-MS Spectrum 44597

MS-Links

GC-MS Spectrum 1684 - GC-MS (1 TMS)

1D-NMR-Links

1D NMR Spectrum 1557 - Varian 500 MHz 1H NMR

1D NMR Spectrum 2066 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 2756 - Varian 25.16 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Spongiporus Leucomallellus	na	GC/MS	No
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No

12-methyltetradecanoic Acid

Compound Details

Synonymous names

ANTEISOPENTADECANOIC ACID

12-Methyltetradecansaeure

Sarcinic acid

Aseanostatin P5

12-Methyl-tetradecansaeure

12-Methyltetradecanoic acid

AC1L2ITY

anteiso-C15

12-Methyl tetradecanoic acid

12-methyl-tetradecanoic acid

12-MTA

CTK8J2149

SCHEMBL397325

CHEMBL495852

C15:0ai

aC15:0

15:0ai

anteiso-C15:0

a15:0

C16665

HMS2267L13

anteiso-15:0

LP072281

15:0 anteiso

CHEBI:39251

KB-64806

Tetradecanoic acid, 12-methyl-

C-55310

LMFA01020008

MFCD00083664

12-Methyltetradecanoic acid; Sarcinic acid; Aseanostatin P5

MLS000517264

(+)-12-Methyltetradecanoic acid

SMR000127417

5502-94-3

NCGC00247048-01

(+)-12-methyl myristic acid

Microorganism:

Yes

IUPAC name

12-methyltetradecanoic acid

SMILES

CCC(C)CCCCCCCCCCC(=O)O

Inchi

InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)

Formula

C₁₅H₃₀O₂

PubChem ID

21672

Molweight

242.403

LogP

5.65

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Bacteroides Fragilis ATCC 25285	n/a	Brondz and Olsen, 1991
Bacteria	Marine Streptomycete (isolate B6007)	n/a	Stritzke et al., 2004
Bacteria	Porphyromonas Endodontalis HG 181 (H 11a-e)	n/a	Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 182 (BN 11a-f)	n/a	Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 370 (ATCC 35406)	n/a	Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 412	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ATCC 33574	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES12-B	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES17-1	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES9-1	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Disiens DSM 20516	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Heparinolyticus ATCC 35895	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES14B-3A	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES15-2	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES4-B	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ATCC 33573	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES14B-3A	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES9-3	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris RPG	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Veroralis ATCC 33779	n/a	Brondz and Olsen, 1991

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Bacteroides Fragilis ATCC 25285	n/a	n/a
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 181 (H 11a-e)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 182 (BN 11a-f)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 370 (ATCC 35406)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 412	n/a	n/a
Bacteria	Prevotella Buccae ATCC 33574	n/a	n/a
Bacteria	Prevotella Buccae ES12-B	n/a	n/a
Bacteria	Prevotella Buccae ES17-1	n/a	n/a
Bacteria	Prevotella Buccae ES9-1	n/a	n/a
Bacteria	Prevotella Disiens DSM 20516	n/a	n/a
Bacteria	Prevotella Heparinolyticus ATCC 35895	n/a	n/a
Bacteria	Prevotella Oralis ES14B-3A	n/a	n/a
Bacteria	Prevotella Oralis ES15-2	n/a	n/a
Bacteria	Prevotella Oralis ES4-B	n/a	n/a
Bacteria	Prevotella Oris ATCC 33573	n/a	n/a
Bacteria	Prevotella Oris ES14B-3A	n/a	n/a
Bacteria	Prevotella Oris ES9-3	n/a	n/a
Bacteria	Prevotella Oris RPG	n/a	n/a
Bacteria	Prevotella Veroralis ATCC 33779	n/a	n/a

14-methylhexadecanoic Acid

Compound Details

Synonymous names

FXUKWLSZZHVEJD-UHFFFAOYSA-N

14-METHYLHEXADECANOIC ACID

AC1L2JXW

14-Methylpalmitic acid

14-methyl-hexadecanoic acid

CTK5A9553

Hexadecanoic acid,14-methyl-

SCHEMBL347119

LP001220

CHEBI:84874

Hexadecanoic acid, 14-methyl-

LMFA01020011

MFCD00214328

5918-29-6

(+)-14-methyl palmitic acid

Microorganism:

Yes

IUPAC name

14-methylhexadecanoic acid

SMILES

CCC(C)CCCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)

Formula

C₁₇H₃₄O₂

PubChem ID

22207

Molweight

270.457

LogP

6.54

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

MS-Links

MS-MS Spectrum 129412

MS-MS Spectrum 70849

MS-MS Spectrum 129411

MS-MS Spectrum 129413

MS-MS Spectrum 70848

MS-MS Spectrum 70850

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a	Stritzke et al., 2004
Bacteria	Prevotella Buccae ATCC 33574	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES12-B	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES17-1	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES9-1	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Disiens DSM 20516	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES14B-3A	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES15-2	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES4-B	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES14B-3A	n/a	Brondz and Olsen, 1991

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Prevotella Buccae ATCC 33574	n/a	n/a
Bacteria	Prevotella Buccae ES12-B	n/a	n/a
Bacteria	Prevotella Buccae ES17-1	n/a	n/a
Bacteria	Prevotella Buccae ES9-1	n/a	n/a
Bacteria	Prevotella Disiens DSM 20516	n/a	n/a
Bacteria	Prevotella Oralis ES14B-3A	n/a	n/a
Bacteria	Prevotella Oralis ES15-2	n/a	n/a
Bacteria	Prevotella Oralis ES4-B	n/a	n/a
Bacteria	Prevotella Oris ES14B-3A	n/a	n/a

14-methylpentadecanoic Acid

Compound Details

Synonymous names

Isohexadecanoic acid

ZONJATNKKGGVSU-UHFFFAOYSA-N

ISOPALMITIC ACID

14-Methylpentadecanoic acid

AC1L1VE6

14-methyl-pentadecanoic acid

14-methyl pentadecylic acid

CTK1C0863

SCHEMBL398305

DTXSID9067726

LP001113

CHEBI:84890

ZINC4557091

Pentadecanoic acid, 14-methyl-

C-55228

LMFA01020010

ACM32844670

NP-013874

W-110827

Isopalmitic acid, >=98% (capillary GC)

MCULE-2401625440

4669-02-7

EINECS 251-256-7

70518-67-1

32844-67-0

68199-95-1

MolPort-003-958-813

Microorganism:

Yes

IUPAC name

14-methylpentadecanoic acid

SMILES

CC(C)CCCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

Formula

C₁₆H₃₂O₂

PubChem ID

36247

Molweight

256.43

LogP

6.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

MS-Links

MS-MS Spectrum 126860

MS-MS Spectrum 68752

MS-MS Spectrum 126859

MS-MS Spectrum 68751

MS-MS Spectrum 126858

MS-MS Spectrum 68753

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a	Stritzke et al., 2004
Bacteria	Prevotella Buccae ATCC 33574	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES12-B	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES17-1	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES9-1	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Disiens DSM 20516	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES14B-3A	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES15-2	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES4-B	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ATCC 33573	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES14B-3A	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES9-3	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris RPG	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Veroralis ATCC 33779	n/a	Brondz and Olsen, 1991

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Prevotella Buccae ATCC 33574	n/a	n/a
Bacteria	Prevotella Buccae ES12-B	n/a	n/a
Bacteria	Prevotella Buccae ES17-1	n/a	n/a
Bacteria	Prevotella Buccae ES9-1	n/a	n/a
Bacteria	Prevotella Disiens DSM 20516	n/a	n/a
Bacteria	Prevotella Oralis ES14B-3A	n/a	n/a
Bacteria	Prevotella Oralis ES15-2	n/a	n/a
Bacteria	Prevotella Oralis ES4-B	n/a	n/a
Bacteria	Prevotella Oris ATCC 33573	n/a	n/a
Bacteria	Prevotella Oris ES14B-3A	n/a	n/a
Bacteria	Prevotella Oris ES9-3	n/a	n/a
Bacteria	Prevotella Oris RPG	n/a	n/a
Bacteria	Prevotella Veroralis ATCC 33779	n/a	n/a

13-methyltetradecanoic Acid

Compound Details

Synonymous names

isopentadecanoicacid

Subtilopentadecanoic acid

Isopentadecanoic acid

Isopentadecylic acid

ZOCYQVNGROEVLU-UHFFFAOYSA-N

13-METHYLTETRADECANOICACID

13-Methyl-tetradecansaeure

13-Methylmyristate

13-Methyltetradecanoic acid

13-methylmyristic acid

AC1L45HO

13-methyl-tetradecanoic acid

M09T9M1LTY

13-Methyl tetradecanoic acid

iso-C15

13-Mtd

UNII-M09T9M1LTY

Isopentadecanoic acid(7CI,9CI)

CTK1A1122

SCHEMBL366393

CHEMBL495851

LP001111

iso-C15:0

ZINC1911381

CHEBI:39250

i-C15:0

DTXSID90179552

15:0 iso

Tetradecanoic acid, 13-methyl-

KB-64810

i-15:0

LMFA01020009

C-55238

MFCD00083431

ACM50973096

J-015704

2485-71-4

13-Methylmyristic acid, >=98% (capillary GC)

27836-87-9

50973-09-6

Microorganism:

Yes

IUPAC name

13-methyltetradecanoic acid

SMILES

CC(C)CCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)

Formula

C₁₅H₃₀O₂

PubChem ID

151014

Molweight

242.403

LogP

5.65

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Bacteroides Fragilis ATCC 25285	n/a	Brondz and Olsen, 1991
Bacteria	Marine Streptomycete (isolate B6007)	n/a	Stritzke et al., 2004
Bacteria	Porphyromonas Endodontalis HG 181 (H 11a-e)	n/a	Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 182 (BN 11a-f)	n/a	Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 370 (ATCC 35406)	n/a	Brondz and Olsen, 1991
Bacteria	Porphyromonas Endodontalis HG 412	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ATCC 33574	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES12-B	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES17-1	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES9-1	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Disiens DSM 20516	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Heparinolyticus ATCC 35895	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES14B-3A	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES15-2	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES4-B	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ATCC 33573	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES14B-3A	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES9-3	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris RPG	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Veroralis ATCC 33779	n/a	Brondz and Olsen, 1991

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Bacteroides Fragilis ATCC 25285	n/a	n/a
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 181 (H 11a-e)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 182 (BN 11a-f)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 370 (ATCC 35406)	n/a	n/a
Bacteria	Porphyromonas Endodontalis HG 412	n/a	n/a
Bacteria	Prevotella Buccae ATCC 33574	n/a	n/a
Bacteria	Prevotella Buccae ES12-B	n/a	n/a
Bacteria	Prevotella Buccae ES17-1	n/a	n/a
Bacteria	Prevotella Buccae ES9-1	n/a	n/a
Bacteria	Prevotella Disiens DSM 20516	n/a	n/a
Bacteria	Prevotella Heparinolyticus ATCC 35895	n/a	n/a
Bacteria	Prevotella Oralis ES14B-3A	n/a	n/a
Bacteria	Prevotella Oralis ES15-2	n/a	n/a
Bacteria	Prevotella Oralis ES4-B	n/a	n/a
Bacteria	Prevotella Oris ATCC 33573	n/a	n/a
Bacteria	Prevotella Oris ES14B-3A	n/a	n/a
Bacteria	Prevotella Oris ES9-3	n/a	n/a
Bacteria	Prevotella Oris RPG	n/a	n/a
Bacteria	Prevotella Veroralis ATCC 33779	n/a	n/a

15-methylhexadecanoic Acid

Compound Details

Synonymous names

Isoheptadecanoic acid

IIUXHTGBZYEGHI-UHFFFAOYSA-N

isomargaric acid

15-Methylhexadecanoic acid

iso-margaric acid

15-Methylpalmitic acid

AC1L4VM1

AC1Q5W9P

15-methyl-hexadecanoic acid

15-Methyl hexadecanoic acid

Z8I04ZY2JB

15-methyl palmitic acid

UNII-Z8I04ZY2JB

CTK4D0405

SCHEMBL346565

Hexadecanoic acid,15-methyl-

i17:0

LP001117

iso-C17:0

ZINC4557076

CHEBI:70850

i-C17:0

Hexadecanoic acid, 15-methyl-

DTXSID60166853

i-17:0

LMFA01020012

MFCD00083427

C-55222

J-009708

C17:0 (iso)

1603-03-8

15-Methylpalmitic acid, >=98% (capillary GC)

Microorganism:

Yes

IUPAC name

15-methylhexadecanoic acid

SMILES

CC(C)CCCCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)

Formula

C₁₇H₃₄O₂

PubChem ID

164860

Molweight

270.457

LogP

6.54

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a	Stritzke et al., 2004
Bacteria	Prevotella Buccae ATCC 33574	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES12-B	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES17-1	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Buccae ES9-1	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Disiens DSM 20516	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Heparinolyticus ATCC 35895	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES14B-3A	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES15-2	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oralis ES4-B	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ATCC 33573	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES14B-3A	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris ES9-3	n/a	Brondz and Olsen, 1991
Bacteria	Prevotella Oris RPG	n/a	Brondz and Olsen, 1991

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Prevotella Buccae ATCC 33574	n/a	n/a
Bacteria	Prevotella Buccae ES12-B	n/a	n/a
Bacteria	Prevotella Buccae ES17-1	n/a	n/a
Bacteria	Prevotella Buccae ES9-1	n/a	n/a
Bacteria	Prevotella Disiens DSM 20516	n/a	n/a
Bacteria	Prevotella Heparinolyticus ATCC 35895	n/a	n/a
Bacteria	Prevotella Oralis ES14B-3A	n/a	n/a
Bacteria	Prevotella Oralis ES15-2	n/a	n/a
Bacteria	Prevotella Oralis ES4-B	n/a	n/a
Bacteria	Prevotella Oris ATCC 33573	n/a	n/a
Bacteria	Prevotella Oris ES14B-3A	n/a	n/a
Bacteria	Prevotella Oris ES9-3	n/a	n/a
Bacteria	Prevotella Oris RPG	n/a	n/a

12-methyltridecanoic Acid

Compound Details

Synonymous names

12-Methyltridecancarbonsaeure

YYVJAABUJYRQJO-UHFFFAOYSA-N

ISOMYRISTIC ACID

12-Methyltridecansaeure

Aseanostatin P1

12-methyltridecanoic acid

12-methyltridecylic acid

AC1LAU30

12-methyl-tridecanoic acid

CTK4F9326

SCHEMBL399776

Tridecanoic acid,12-methyl-

Tridecanoic acid, 12-methyl

i14:0

LP001207

ZINC2575042

iso-C14:0

CHEBI:43722

C14:0 iso

iso-14:0

DTXSID30181694

J1241I451J

(+)-Isomyristic acid

LMFA01020007

C-55244

Tridecanoic acid, 12-methyl-

NP-009323

UNII-J1241I451J

J-016708

MCULE-7115259280

2724-57-4

12-Methyltridecanoic acid, 98% (capillary GC)

MolPort-001-740-038

Microorganism:

Yes

IUPAC name

12-methyltridecanoic acid

SMILES

CC(C)CCCCCCCCCCC(=O)O

Inchi

InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)

Formula

C₁₄H₂₈O₂

PubChem ID

520298

Molweight

228.376

LogP

5.21

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids

mVOC Specific Details

MS-Links

MS-MS Spectrum 152020

MS-MS Spectrum 89159

MS-MS Spectrum 89158

MS-MS Spectrum 89157

MS-MS Spectrum 152019

MS-MS Spectrum 152021

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a

Pentadec-14-enoic Acid

Compound Details

Synonymous names

CAHZYAQCDBBLER-UHFFFAOYSA-N

AC1LBWWD

14-PENTADECENOICACID

14-Pentadecenoic acid

pentadec-14-enoic acid

CTK0H2129

SCHEMBL3125180

LP061089

ZINC4789736

DTXSID90337655

AK-60509

AJ-52294

LMFA01030053

C15:1n-1

ACM17351347

AKOS022181299

17351-34-7

Microorganism:

Yes

IUPAC name

pentadec-14-enoic acid

SMILES

C=CCCCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17)

Formula

C₁₅H₂₈O₂

PubChem ID

543854

Molweight

240.387

LogP

5.51

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids alkenes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a

(E)-octadec-9-enoic Acid

Mass-Spectra

Compound Details

Synonymous names

Elaidinsaeure

Elaidinsaure

ZQPPMHVWECSIRJ-MDZDMXLPSA-N

acide elaidique

9-octadecenoicacid

AC1LCUDW

Elaidic acid

delta9-Octadecenoic acid

trans-Elaidic acid

1lfo

Red oil

trans-Oleic acid

9 Octadecenoic Acid

9-octadecenoic acid

9E-octadecenoic acid

Elaidic acid, analytical standard

1fe3

D9-trans-Octadecenoic acid

trans-D9-Octadecenoic acid

9-trans-Octadecenoic acid

AC1Q2VW3

AC1Q5W6X

trans-9-Octadecenoic acid

9-elaidic acid

SCHEMBL1139

SCHEMBL6693

Octadec-9-enoic acid

1749AH

6479AF

Delta(9)-octadecenoic acid

O0010

Octadec-9-enoic acid anion

trans-Octadec-9-enoic acid

CHEMBL460657

DB04224

NSC26988

Oleic acid, tall oil derived

trans-.DELTA.9-Octadecenoic acid

trans-Delta(9)-octadecenoic acid

(9E)-Octadecenoic acid

bmse000643

C01712

HMS3649H19

Oleic acid derived from tall oil fatty acids

(E)-Oleic acid

Canola Fatty Acid 790

cis-9-Octadecenoic Acid, Elainic Acid

DTXSID8058619

LP001795

ST098716

STL282737

CHEBI:27997

CHEBI:36021

L001099

trans-delta(sup 9)-Octadecenoic acid

W-1404

ZINC8217338

AN-19800

CCG-35462

LS-63810

NSC 26988

NSC-26988

Oleic Acid 213 NF

Oleic Acid 221 NF

Oleic Acid 233 LL

Oleic acid, from tall oil fatty acids

WLN: QV8U9-T

(E)-9-Octadecenoic acid

BDBM50250904

LMFA01030073

MFCD00063954

4837010H8C

AI3-15840

C18:1n-9

DB-041119

LS-181026

RTR-002477

ST51037244

TR-002477

(9E)octadec-9-enoic acid

AKOS000278123

I04-1559

J-002839

Q-201508

FT-0631648

FT-0645155

FT-0651079

FT-0673256

UNII-4837010H8C

(E)-octadec-9-enoic acid

I14-44020

EN300-19543

(9E)-octadec-9-enoic acid

112-79-8

9-Octadecenoic acid,(9E)-

trans-.delta.(sup 9)-Octadecenoic acid

2027-47-6

9-Octadecenoic acid, (E)-

C18:1, n-9

EINECS 204-006-6

EINECS 217-977-6

18:1, n-9

9-octadecenoic acid, (9E)-

Oleic acid, technical, 90% 1L

861204-23-1

Elaidic acid, >=99.0% (GC)

MolPort-000-882-023

Oleic Acid, 99% min (animal-origin free, vegetal-derived)

9-Octadecenoic acid, (E)- (9CI)

D89C6CAA-1C31-4C71-BD3B-EA155A22E10C

InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9

Microorganism:

Yes

IUPAC name

(E)-octadec-9-enoic acid

SMILES

CCCCCCCCC=CCCCCCCCC(=O)O

Inchi

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+

Formula

C₁₈H₃₄O₂

PubChem ID

637517

Molweight

282.468

LogP

6.78

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids

mVOC Specific Details

Boiling Point

Degree	Reference
360 °C	PhysProp
286 deg C at 100 mm Hg	O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1176

Volatilization

A pKa of 5.02(1) indicates oleic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Oleic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.46X10-7 mm Hg(3).
Literature: (1) Riddick JA et al; Organic Solvents 4th ed; NY: Wiley p. 379 (1986) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)

Soil Adsorption

The Koc of undissociated oleic acid is estimated as 340,000(SRC), using a log Kow of 7.64(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that oleic acid is expected to be immobile in soil. The pKa of oleic acid is 5.02(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Riddick JA et al; Organic Solvents 4th ed; NY: Wiley p. 379 (1986) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Vapor Pressure

Pressure	Reference
5.46X10-7 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a

(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

Mass-Spectra

Compound Details

Synonymous names

Spinacen

Spinacene

squalene

Supraene

YYGNTYWPHWGJRM-AAJYLUCBSA-N

Skvalen

Super Squalene

trans-Squalene

AC1LCVLF

All-trans-Squalene

AC1Q1NVK

Nikko Squalane EX

MF59

AC1Q28HB

Squalene, Spinacene, Supraene

7QWM220FJH

GTPL3054

1977AC

C30H50

UNII-7QWM220FJH

CCRIS 711

QSPL 049

Squalene, all-trans-

CHEMBL458402

LS-525

NSC93748

PhytoSquene® [olive oil-derived Squalene]

C00751

HSDB 8242

AK115145

LP067385

CHEBI:15440

DSSTox_CID_6044

ZINC6845904

AJ-56905

CJ-13112

DSSTox_GSID_26044

NSC-93748

SC-66368

DSSTox_RID_77993

MFCD00008912

KB-225990

PhytoSquene(R) (olive oil-derived Squalene)

RTR-031960

ST24027355

TR-031960

AKOS015917344

I14-9704

J-002505

(E,E,E,E)-Squalene

Tox21_112789

Tox21_113239

111-02-4

Squalene, 98% 100g

7683-64-9

NCGC00181163-01

NCGC00181323-01

CAS-111-02-4

EINECS 203-826-1

11051-27-7

21245-10-3

94016-35-0

EC 203-826-1

SR-01000944749

3170-EP2269989A1

3170-EP2269990A1

3170-EP2272825A2

3170-EP2284160A1

3170-EP2287165A2

3170-EP2287166A2

3170-EP2292620A2

3170-EP2295406A1

3170-EP2298731A1

3170-EP2298772A1

3170-EP2298776A1

3170-EP2298779A1

3170-EP2301923A1

3170-EP2305825A1

3170-EP2308510A1

3170-EP2308562A2

3170-EP2308839A1

3170-EP2311841A1

3170-EP2371811A2

MolPort-001-785-792

SR-01000944749-1

3704365A-1DAB-4AAA-A0D0-CAE7A96723AC

2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene

2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene

2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexene

2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-

2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-,

(All-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene

(all-E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetraco-sahexaene

(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)-

2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-

2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-

2,6,10,14,18,22-Tetracosahexaene,2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)-

2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene, (all-E)-

2,6,10,15,19,23-Hexamethyltetracosa-(2E,6E,10E,14E,18E,22E)-2,6,10,14,18,22-hexaene

InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24

Microorganism:

Yes

IUPAC name

(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

SMILES

CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C

Inchi

InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+

Formula

C₃₀H₅₀

PubChem ID

638072

Molweight

410.73

LogP

10.42

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkenes terpenes

mVOC Specific Details

Volatilization

The Henry's Law constant for squalene is estimated as 2.0 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that squalene is expected to volatilize rapidly (from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 8 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is >5 years if adsorption is considered(3). Squalene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from moist soil is expected to be attenuated by adsorption(SRC). Squalene is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.3X10-6 mm Hg(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of squalene can be estimated to be 1X10+8(SRC). According to a classification scheme(2), this estimated Koc value suggests that squalene is expected to be immobile mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
6.3X10-6 mm Hg at 25 deg C (est)	US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a

(E)-hexadec-9-enoic Acid

Compound Details

Synonymous names

Palmitolinoleic acid

PALMITELAIDIC ACID

SECPZKHBENQXJG-BQYQJAHWSA-N

trans-palmitoleic acid

AC1NR0PI

9-trans-Hexadecenoate

trans-9-Hexadecenoate

9E-hexadecenoic acid

9-HEXADECENOIC ACID

t-9-Hexadecenoate

trans-9-hexadecenoic acid

trans-9-palmitoleic acid

9-trans-hexadecenoic acid

AC1Q5W6W

t-9-hexadecenoic acid

SCHEMBL33311

HMDB12328

(E)-Palmitoleic acid

trans-Delta(9)-hexadecenoic acid

DB04257

SCHEMBL154754

(9E)-hexadecenoic acid

cis-.delta.9-Hexadecenoic acid

(E)-9-hexadecenoicacid

65DJ825A3Z

CHEMBL3182018

DTXSID7021603

CS-6346

LP007704

NSC277452

(E)-9-Hexadecenoate

HY-N2341

CHEBI:72004

CHEBI:59265

UNII-65DJ825A3Z

DSSTox_CID_1603

(9E)-9-Hexadecenoate

DSSTox_GSID_21603

AN-19833

MFCD00067230

ZINC14881154

LMFA01030057

(E)-9-Hexadecenoic acid

DSSTox_RID_76230

LS-162994

(E)-Hexadec-9-enoate

t-16:1D9

AI3-36444

NSC-277452

C16:1n-7

I04-1627

(9E)-9-Hexadecenoic acid

AKOS015893003

J-000092

FT-0621640

16:1 omega-7

(E)-hexadec-9-enoic acid

Tox21_202178

Tox21_302976

(9E)-9-Hexadecenoic acid #

(9E)-Hexadec-9-enoic acid

NCGC00259727-01

9-Hexadecenoic acid, (E)-

NCGC00256330-01

2091-29-4

NCGC00249181-01

9-Hexadecenoic acid, (9E)-

10030-73-6

CAS-10030-73-6

Microorganism:

Yes

IUPAC name

(E)-hexadec-9-enoic acid

SMILES

CCCCCCC=CCCCCCCCC(=O)O

Inchi

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+

Formula

C₁₆H₃₀O₂

PubChem ID

5282745

Molweight

254.414

LogP

5.89

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids alkenes

mVOC Specific Details

MS-Links

MS-MS Spectrum 102538

MS-MS Spectrum 102537

MS-MS Spectrum 206264

MS-MS Spectrum 168375

MS-MS Spectrum 102539

MS-MS Spectrum 168376

MS-MS Spectrum 206262

MS-MS Spectrum 206265

MS-MS Spectrum 206266

MS-MS Spectrum 206263

MS-MS Spectrum 168377

MS-MS Spectrum 206261

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a

(7R)-7-(4-methylpentyl)oxepan-2-one

Compound Details

Synonymous names

CHEMBL467698

(R)-7-Isohexyloxepane-2-one

Microorganism:

Yes

IUPAC name

(7R)-7-(4-methylpentyl)oxepan-2-one

SMILES

CC(C)CCCC1CCCCC(=O)O1

Inchi

InChI=1S/C12H22O2/c1-10(2)6-5-8-11-7-3-4-9-12(13)14-11/h10-11H,3-9H2,1-2H3/t11-/m1/s1

Formula

C₁₂H₂₂O₂

PubChem ID

10104200

Molweight

198.306

LogP

3.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Lactone lactones esters

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a

(7R)-7-[(4S)-4-methylhexyl]oxepan-2-one

Compound Details

Synonymous names

CHEMBL478807

Microorganism:

Yes

IUPAC name

(7R)-7-[(4S)-4-methylhexyl]oxepan-2-one

SMILES

CCC(C)CCCC1CCCCC(=O)O1

Inchi

InChI=1S/C13H24O2/c1-3-11(2)7-6-9-12-8-4-5-10-13(14)15-12/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1

Formula

C₁₃H₂₄O₂

PubChem ID

10375901

Molweight

212.333

LogP

4.04

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Lactone esters lactones

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a

(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

Compound Details

Synonymous names

JLPUXFOGCDVKGO-TUAOUCFPSA-N

GEOSMIN

AC1L1I2Q

MYW912WXJ4

UNII-MYW912WXJ4

SCHEMBL50009

C16286

OR238484

4,8a-Dimethyl-decahydronaphthalen-4a-ol

OR031361

4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol

CHEMBL2374043

CHEBI:46702

ZINC3870304

(-)-geosmin

LS-95000

trans-1,10-dimethyl-trans-decalol

Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol

AKOS006282977

trans-1,10-Dimethyl-trans-9-decalol

4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #

Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol

NCGC00165950-01

EINECS 243-239-8

19700-21-1

4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl-

(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol

4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl- (8CI)

(4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol

4a-.alpha.-(2H)-Naphthol, octahydro-4-.alpha.,8a-.beta.-dimethyl-

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4.alpha.,4a.alpha.,8a.beta.)-

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-

(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4.alpha.,4a.alpha.,8a.beta.)]-

Microorganism:

Yes

IUPAC name

(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

SMILES

CC1CCCC2(C1(CCCC2)O)C

Inchi

InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1

Formula

C₁₂H₂₂O

PubChem ID

29746

Molweight

182.307

LogP

3.17

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Bicyclo Alcohols

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Actinomycetes Spp.	n/a		Dickschat et al., 2007
Bacteria	Cyanobacteria	n/a		Dickschat et al., 2007
Bacteria	Myxobacterium Spp.	n/a		Dickschat et al., 2007
Bacteria	Myxococcus Xanthus	n/a		Nawrath et al., 2008
Bacteria	Nannocystis Exedens Na E485	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Na EB37	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a		Dickschat et al., 2007
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a		Dickschat et al., 2005_5
Bacteria	Stigmatella Aurantiaca Sg A15	n/a		Dickschat et al., 2005_5
Bacteria	Streptomyces Griseus	n/a		Nawrath et al., 2008
Bacteria	Streptomyces Spp.	n/a		Dickschat et al., 2007
Bacteria	Actinobacteria Sp.	n/a		Stahl and Parkin, 1976
Bacteria	Anabaena Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Chondromyces Crocatus	n/a		Schulz and Dickschat, 2007
Bacteria	Chondromyces Crocatus Cm C2	n/a		Schulz et al., 2004
Bacteria	Cyanobacteria	n/a		Hoeckelmann et al., 2004
Bacteria	Lyngbya	n/a		Schulz and Dickschat, 2007
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Bacteria	Myxobacterium Spp.	n/a		Dickschat et al., 2004
Bacteria	Myxococcus Xanthus	n/a		Schulz and Dickschat, 2007
Bacteria	Nannocystis Exedens	n/a		Schulz and Dickschat, 2007
Bacteria	Oscillatoria Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Phormidium Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Rivularia Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Stigmatella Aurantiaca	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Albidoflavus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Albus IFO 13014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus IMRU 3491	na	na	Gerber and Lechavelier, 1967
Bacteria	Streptomyces Antibioticus IMRU 3720	na	na	Gerber and Lechavelier, 1966
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Citreus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Coelicolor	n/a		Dickschat et al., 2005
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Fradiae IMRU 3535	na	na	Gerber and Lechavelier, 1968
Bacteria	Streptomyces Fradiae IMRU 3535-R7	na	na	Gerber and Lechavelier, 1969
Bacteria	Streptomyces Griseus	n/a		Dickschat et al., 2005
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus LP-16	na	na	Gerber and Lechavelier, 1965
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Odorifer IMRU 3334	na	na	Gerber and Lechavelier, 1970
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sulfureus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Thermoviolaceus IFO 12382	n/a		Schoeller et al., 2002
Fungi	Armillaria Mellea	n/a		Mueller et al., 2013
Fungi	Aspergillus Niger			Priegnitz et al. 2015
Fungi	Chaetomium Globosum			Kikuchi et al. 1983
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Discolor			SchnÃ¼rer et al. 1999
Fungi	Penicillium Expansum	n/a		Mattheis and Roberts, 1992
Fungi	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Penicillium Sp.			Larsen and Frisvad 1995
Fungi	Pholiota Squarrosa	n/a		Mueller et al., 2013
Fungi	Streptomyces Griseus			Gerber and Lechevalier 1965
Fungi	Verticillium Longisporum	n/a		Mueller et al., 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Myxobacterium Spp.	n/a	n/a
Bacteria	Myxococcus Xanthus	n/a	n/a
Bacteria	Nannocystis Exedens Na E485	n/a	n/a
Bacteria	Nannocystis Exedens Na EB37	n/a	n/a
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a	n/a
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a	n/a
Bacteria	Stigmatella Aurantiaca Sg A15	n/a	n/a
Bacteria	Streptomyces Griseus	n/a	n/a
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Actinobacteria Sp.	n/a	n/a
Bacteria	Anabaena Sp.	n/a	n/a
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Sp.	n/a	n/a
Bacteria	Calothrix Spp.	n/a	n/a
Bacteria	Chondromyces Crocatus	n/a	n/a
Bacteria	Chondromyces Crocatus Cm C2	n/a	n/a
Bacteria	Lyngbya	n/a	n/a
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Nannocystis Exedens	n/a	n/a
Bacteria	Oscillatoria Sp.	n/a	n/a
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Stigmatella Aurantiaca	n/a	n/a
Bacteria	Streptomyces Albidoflavus	n/a	n/a
Bacteria	Streptomyces Albidoflavus AMI 246	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Albus	n/a	n/a
Bacteria	Streptomyces Albus IFO 13014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus	n/a	n/a
Bacteria	Streptomyces Antibioticus CBS 659.68	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus IMRU 3491	Pablum	GC
Bacteria	Streptomyces Antibioticus IMRU 3720	SBM/Pablum	GC
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 28832	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Citreus	n/a	n/a
Bacteria	Streptomyces Coelicolor	n/a	n/a
Bacteria	Streptomyces Coelicolor DSM 40233	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Fradiae IMRU 3535	Pablum	GC
Bacteria	Streptomyces Fradiae IMRU 3535-R7	SBM Pablum	GC
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus LP-16	YD + CaCO3/SBM/Pablum	GC
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Hirsutus ATCC 19773	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hirsutus ETH 1666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus ATCC 27438	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus IFO 13255	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus DSM 40091	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Odorifer IMRU 3334	YD + CaCO3/SBM/Pablum	GC
Bacteria	Streptomyces Olivaceus ETH 7437	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Rishiriensis AMI 224	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Spp. AMI 243	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Sulfureus	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus IFO 12382	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Fungi	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Aspergillus Niger			no
Fungi	Chaetomium Globosum			no
Fungi	Penicillium Commune Pitt	DG18,MEA	GC/MS
Fungi	Penicillium Discolor	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Penicillium Expansum	n/a	n/a
Fungi	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Penicillium Sp.			no
Fungi	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Streptomyces Griseus			no
Fungi	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS

Results for: Species: marine Streptomycete (isolate B6007) Signature

Hexadecanoic Acid

Compound Details

mVOC Specific Details

Phthalic Acid

Compound Details

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Octadecanoic Acid

Compound Details

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2-phenylethanol

Compound Details

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Heptadecanoic Acid

Compound Details

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Tetradecanoic Acid

Compound Details

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Pentadecanoic Acid

Compound Details

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12-methyltetradecanoic Acid

Compound Details

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14-methylhexadecanoic Acid

Compound Details

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14-methylpentadecanoic Acid

Compound Details

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13-methyltetradecanoic Acid

Compound Details

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15-methylhexadecanoic Acid

Compound Details

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12-methyltridecanoic Acid

Compound Details

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Pentadec-14-enoic Acid

Compound Details

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(E)-octadec-9-enoic Acid

Compound Details

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(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

Compound Details

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(E)-hexadec-9-enoic Acid

Compound Details

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(7R)-7-(4-methylpentyl)oxepan-2-one

Compound Details

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(7R)-7-[(4S)-4-methylhexyl]oxepan-2-one

Compound Details

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(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

Compound Details

mVOC Specific Details

Results for:
Species: marine Streptomycete (isolate B6007)

Signature