Results for:
PubChem ID: 2682

Hexadecan-1-ol

Mass-Spectra

Compound Details

Synonymous names
1-Hexadecanol
cetyl alcohol
Hexadecan-1-ol
36653-82-4
HEXADECANOL
Cetanol
Palmityl alcohol
Hexadecyl alcohol
N-Hexadecanol
n-1-Hexadecanol
n-Cetyl alcohol
Cetaffine
Cetylol
Ethal
Ethol
Cetylic alcohol
n-Hexadecyl alcohol
Cetal
Crodacol C
Loxanwachs SK
Loxanol K extra
Elfacos C
Loxanol K
1-Hexadecyl alcohol
Atalco C
Cetalol CA
Crodacol-CAS
Crodacol-CAT
Siponol CC
Lanol C
1-Cetanol
Hyfatol 16
Cachalot C-50
Cachalot C-51
Cachalot C-52
Alcohol C-16
Aldol 54
Dytol F-11
palmitic alcohol
Cyclal cetyl alcohol
Alfol 16
Lorol 24
Adol 52
Adol 54
Hyfatol
Adol
Adol 52 NF
1-Hexadecyl alc
16-Hexadecanol
Epal 16NF
C16 alcohol
Cetylalkohol
Adol 520
Isocetyl alcohol
n-Hexadecan-1-ol
Cetyl alchol
1-Hexanedecanol
Alcohol cetylicus
FEMA No. 2554
FEMA Number 2554
Hexadecyl alcohol, normal
Normal primary hexadecyl alcohol
CO-1670
CO-1695
Isohexadecyl alcohol
Adol 52NF
SSD RP
HSDB 2643
Lipocol C
UNII-936JST6JCN
Fancol CA
Cetyl alcohol NF
NSC 4194
NSC-4194
EINECS 253-149-0
936JST6JCN
Crodacol C70
Rita CA
1-Hydroxyhexadecane
Cetanol (TN)
Lanette 16
BRN 1748475
Philcohol 1600
Cetyl alcohol (NF)
Cetyl alcohol [NF]
Lorol C16
LorolL 24
DTXSID4027991
Cachalot C-50 NF
CHEBI:16125
AI3-00755
NSC4194
67762-30-5
DTXCID607991
N-HEXADECYL-D33 ALCOHOL
EC 253-149-0
4-01-00-01876 (Beilstein Handbook Reference)
MFCD00004760
124-29-8
NCGC00159368-02
NCGC00159368-05
CETYL ALCOHOL (II)
CETYL ALCOHOL [II]
Hexadecanol (VAN)
CETYL ALCOHOL (MART.)
CETYL ALCOHOL [MART.]
CETYL ALCOHOL (USP-RS)
CETYL ALCOHOL [USP-RS]
cetylalcohol
Caswell No. 165D
CETYL ALCOHOL (EP MONOGRAPH)
CETYL ALCOHOL [EP MONOGRAPH]
CAS-36653-82-4
EPA Pesticide Chemical Code 001508
Cetyl alcohol (hexadecanol)
hexadecylalcohol
Hexadecanol NF
Ceraphyl ICA
n-hexadecylalcohol
C16H34O
Crodacol C95NF
Eutanol G16
Crodacol C95 NF
Laurex 16
Alfol 16RD
SSD (Salt/Mix)
Cetanol (JP17)
Epal 16
Hyfatol 16-95
Kalcol 6098
Loxiol VPG 1743
1-Hexadecanol, 95%
SSD RP (Salt/Mix)
CETANOL [JAN]
bmse000487
CHEMBL706
Michel XO-150-16
1-Hexadecanol, >=99%
CETYL ALCOHOL [MI]
SCHEMBL3381
CETYL ALCOHOL [HSDB]
CETYL ALCOHOL [INCI]
1-HEXADECANOL [FHFI]
CETYL ALCOHOL [VANDF]
Cetyl alcohol; hexadecan-1-ol
CETYL ALCOHOL [WHO-DD]
CETYL ALCOHOL [WHO-IP]
CETYL ALCOHOL 0.80%
PRIMARY HEXADECYL ALCOHOL
AMY6070
Cetyl alcohol, analytical standard
Cetyl alcohol, puriss., 95.0%
HMS3652H05
CS-D1348
HY-B1465
EINECS 252-964-9
Tox21_111609
Tox21_300325
LMFA05000061
s4173
STL283943
UNII-1800H64066
AKOS005287456
Daily Moisturizing with Colloidal Oats
Tox21_111609_1
1-Hexadecanol, ReagentPlus(R), 99%
CCG-266894
DB09494
MCULE-9457426256
USEPA/OPP Pesticide Code: 001508
ALCOHOL CETYLICUS [WHO-IP LATIN]
All Day Skin Relief with Colloidal Oats
NCGC00159368-03
NCGC00159368-04
NCGC00159368-06
NCGC00254286-01
BS-16666
Cetyl alcohol, puriss., >=99.0% (GC)
H0071
NS00010707
SW219201-1
Cetyl alcohol, SAJ special grade, >=98.0%
Cetyl alcohol, Selectophore(TM), >=99.0%
EN300-19351
1-Hexadecanol, Vetec(TM) reagent grade, 94%
C00823
D00099
AB01566915_01
Q161632
SR-01000944409
SR-01000944409-1
1800H64066
810F139F-C57E-4DF1-916A-A320AD0DAF4D
F0001-1047
Z104473594
Cetyl alcohol, European Pharmacopoeia (EP) Reference Standard
Cetyl alcohol, United States Pharmacopeia (USP) Reference Standard
Cetyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H
Microorganism:

Yes

IUPAC namehexadecan-1-ol
SMILESCCCCCCCCCCCCCCCCO
InchiInChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
FormulaC16H34O
PubChem ID2682
Molweight242.44
LogP7.3
Atoms17
Bonds14
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID16125
Supernatural-IDSN0038445

mVOC Specific Details

Boiling Point
DegreeReference
334 deg C at 760 mm HgLide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3: 3026
Volatilization
The Henry's Law constant for 1-hexadecanol is estimated as 4.6X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 6.0X10-6 mm Hg(1), and water solubility, 4.1X10-2 mg/L(2). This Henry's Law constant indicates that 1-hexadecanol is expected to volatilize from water surfaces(3). 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)(3) is estimated as 23 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)(3) is estimated as 12 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 1.8 years if adsorption is considered (4). 1-Hexadecanol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Hexadecanol 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 Washington, DC: Taylor and Francis supplement 5 (1995) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 1063 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
The Koc of 1-hexadecanol is estimated as 25,000(SRC), using a water solubility of 4.122X10-2(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-hexadecanol is expected to be immobile in soil.
Literature: (1) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 1063 (2003) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
6X10-6 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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaBacillus Velezensismaize seedMassawe et al. 2018
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaBacillus Simplexn/aNAGu et al. 2007
ProkaryotaBacillus Subtilisn/aNAGu et al. 2007
ProkaryotaBacillus Weihenstephanensisn/aNAGu et al. 2007
ProkaryotaMicrobacterium Oxydansn/aNAGu et al. 2007
ProkaryotaStenotrophomonas Maltophilian/aNAGu et al. 2007
ProkaryotaStreptomyces Lateritiusn/aNAGu et al. 2007
ProkaryotaSerratia Marcescensn/aNAGu et al. 2007
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaBacillus VelezensisMinimal salt mediumSPME, GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaNannocystis Exedensn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
EukaryotaWickerhamomyces Anomalusmedium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)SPME with GC-MSno
EukaryotaWickerhamomyces Anomalussolid-state fermentation starter culture DaquSPME coupled with GC-MSno