Results for:
Species: Wolinella curva CCUG 13146 (35224)

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
IUPAC nameoctadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O
InchiInChI=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)
FormulaCH3(CH2)16COOH
PubChem ID5281
Molweight284.484
LogP7.15
Atoms56
Bonds55
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids 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
PressureReference
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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlpha Proteobacteria GroupStimulation of oviposition, directing egg laying to favorable habitat of Aedes aegypti.Ponnusamy et al., 2008
BacteriaBacteroides Gracilis CCUG 13143 (ATCC 33236)n/aBrondz and Olsen, 1991
BacteriaBacteroides Ureolyticus CCUG 7319 (ATCC 33387)n/aBrondz and Olsen, 1991
BacteriaCampylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)n/aBrondz and Olsen, 1991
BacteriaGamma ProteobacteriaStimulation of oviposition, directing egg laying to favorable habitat of Aedes aegypti.Ponnusamy et al., 2008
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
BacteriaWolinella Curva CCUG 13146 (35224)n/aBrondz and Olsen, 1991
BacteriaWolinella Recta FDC 371 (ATCC 33238)n/aBrondz and Olsen, 1991
BacteriaWolinella Succinogenes CCUG 12550 (ATCC 29543)n/aBrondz and Olsen, 1991
FungiPleurotus OstreatusnanaÇağlarırmak et al., 2007
FungiPleurotus Sajor-cajunanaÇağlarırmak et al., 2007
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
Method


3-hydroxyhexadecanoic Acid

Compound Details

Synonymous names
3-HYDROXYHEXADECANOICACID
beta-Hydroxyhexadecanoic acid
CBWALJHXHCJYTE-UHFFFAOYSA-N
beta-Hydroxypalmitic acid
3-hydroxyhexadecanoic acid
DL-beta-Hydroxypalmitic acid
3-Hydroxypalmitic acid
AC1L6YRF
DL--Hydroxypalmitic acid
3-hydroxy-hexadecanoic acid
Hexadecanoic acid,3-hydroxy-
CTK4F2704
DL-.beta.-Hydroxypalmitic acid
SCHEMBL310976
DL-beta-Hydroxypalmitic acid, >=98%
AK401023
Hexadecanoic acid, 3-hydroxy-
LP038560
NSC179484
CHEBI:37248
CC-15318
C-17167
LMFA01050188
MFCD00171638
DB-057332
NSC-179484
AKOS024438254
FT-0633110
928-17-6
2398-34-7
20595-04-4
A9897684-CABA-4D85-8749-EF6BF75EB0A0
IUPAC name3-hydroxyhexadecanoic acid
SMILESCCCCCCCCCCCCCC(CC(=O)O)O
InchiInChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
FormulaC16H32O3
PubChem ID301590
Molweight272.429
LogP5.03
Atoms51
Bonds50
H-bond Acceptor3
H-bond Donor2
Chemical ClassificationAcids Alcohols carboxylic acids

mVOC Specific Details

MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacteroides Fragilis ATCC 25285n/aBrondz and Olsen, 1991
BacteriaBacteroides Gracilis CCUG 13143 (ATCC 33236)n/aBrondz and Olsen, 1991
BacteriaBacteroides Ureolyticus CCUG 7319 (ATCC 33387)n/aBrondz and Olsen, 1991
BacteriaCampylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)n/aBrondz and Olsen, 1991
BacteriaPorphyromonas Endodontalis HG 181 (H 11a-e)n/aBrondz and Olsen, 1991
BacteriaPorphyromonas Endodontalis HG 182 (BN 11a-f)n/aBrondz and Olsen, 1991
BacteriaPorphyromonas Endodontalis HG 370 (ATCC 35406)n/aBrondz and Olsen, 1991
BacteriaPorphyromonas Endodontalis HG 412n/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ATCC 33574n/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ES12-Bn/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ES17-1n/aBrondz and Olsen, 1991
BacteriaPrevotella Buccae ES9-1n/aBrondz and Olsen, 1991
BacteriaPrevotella Disiens DSM 20516n/aBrondz and Olsen, 1991
BacteriaPrevotella Heparinolyticus ATCC 35895n/aBrondz and Olsen, 1991
BacteriaPrevotella Oralis ES14B-3An/aBrondz and Olsen, 1991
BacteriaPrevotella Oralis ES15-2n/aBrondz and Olsen, 1991
BacteriaPrevotella Oralis ES4-Bn/aBrondz and Olsen, 1991
BacteriaPrevotella Oris ATCC 33573n/aBrondz and Olsen, 1991
BacteriaPrevotella Oris ES14B-3An/aBrondz and Olsen, 1991
BacteriaPrevotella Oris ES9-3n/aBrondz and Olsen, 1991
BacteriaPrevotella Oris RPGn/aBrondz and Olsen, 1991
BacteriaPrevotella Veroralis ATCC 33779n/aBrondz and Olsen, 1991
BacteriaWolinella Curva CCUG 13146 (35224)n/aBrondz and Olsen, 1991
BacteriaWolinella Recta FDC 371 (ATCC 33238)n/aBrondz and Olsen, 1991
BacteriaWolinella Succinogenes CCUG 12550 (ATCC 29543)n/aBrondz and Olsen, 1991
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacteroides Fragilis ATCC 25285n/an/a
BacteriaBacteroides Gracilis CCUG 13143 (ATCC 33236)n/an/a
BacteriaBacteroides Ureolyticus CCUG 7319 (ATCC 33387)n/an/a
BacteriaCampylobacter Fetus Subsp. Venerealis CCUG 538 (ATCC 19438)n/an/a
BacteriaPorphyromonas Endodontalis HG 181 (H 11a-e)n/an/a
BacteriaPorphyromonas Endodontalis HG 182 (BN 11a-f)n/an/a
BacteriaPorphyromonas Endodontalis HG 370 (ATCC 35406)n/an/a
BacteriaPorphyromonas Endodontalis HG 412n/an/a
BacteriaPrevotella Buccae ATCC 33574n/an/a
BacteriaPrevotella Buccae ES12-Bn/an/a
BacteriaPrevotella Buccae ES17-1n/an/a
BacteriaPrevotella Buccae ES9-1n/an/a
BacteriaPrevotella Disiens DSM 20516n/an/a
BacteriaPrevotella Heparinolyticus ATCC 35895n/an/a
BacteriaPrevotella Oralis ES14B-3An/an/a
BacteriaPrevotella Oralis ES15-2n/an/a
BacteriaPrevotella Oralis ES4-Bn/an/a
BacteriaPrevotella Oris ATCC 33573n/an/a
BacteriaPrevotella Oris ES14B-3An/an/a
BacteriaPrevotella Oris ES9-3n/an/a
BacteriaPrevotella Oris RPGn/an/a
BacteriaPrevotella Veroralis ATCC 33779n/an/a
BacteriaWolinella Curva CCUG 13146 (35224)n/an/a
BacteriaWolinella Recta FDC 371 (ATCC 33238)n/an/a
BacteriaWolinella Succinogenes CCUG 12550 (ATCC 29543)n/an/a