Results for:
PubChem ID: 985

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 namehexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O
InchiInChI=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)
FormulaC16H32O2
PubChem ID985
Molweight256.43
LogP6.26
Atoms50
Bonds49
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids 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
PressureReference
3.8X10-7 mm Hg at 25 deg CDaubert, 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
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
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
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
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaWolinella Curva CCUG 13146 (ATCC 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
FungiLentinula EdodesnanaÇağlarırmak et al., 2007
FungiPleurotus Sajor-cajunanaÇağlarırmak et al., 2007
FungiXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
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
BacteriaMarine Streptomycete (isolate B6007)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
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaWolinella Curva CCUG 13146 (ATCC 35224)n/an/a
BacteriaWolinella Recta FDC 371 (ATCC 33238)n/an/a
BacteriaWolinella Succinogenes CCUG 12550 (ATCC 29543)n/an/a
FungiLentinula EdodesnaGC/MSNo
FungiPleurotus Sajor-cajunaGC/MSNo
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
BacteriaBacillus Strain D13LBSPME-GC-MSyes
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo