Results for:
PubChem ID: 2682

Hexadecan-1-ol

Mass-Spectra

Compound Details

Synonymous names
hexadecylalcohol
Isohexadecanol
cetylalcohol
Cetylalkohol
HEXADECANOL
Isohexadecyl alcohol
BXWNKGSJHAJOGX-UHFFFAOYSA-N
Cetaffine
Hexadecyl alcohol
Cetanol
Cetylic alcohol
Cetylol
Hyfatol
Isocetyl alcohol
palmitic alcohol
Palmityl alcohol
1-Hydroxyhexadecane
Cetal
cetyl alcohol
Ethal
Ethol
Hexadecanol NF
Loxanwachs SK
N-Hexadecanol
Normal primary hexadecyl alcohol
Ceraphyl ICA
Crodacol-CAS
Crodacol-CAT
Cyclal cetyl alcohol
1-Hexanedecanol
Cetalol CA
Crodacol C
Elfacos C
Fancol CA
Lipocol C
Loxanol K
n-Hexadecyl alcohol
Siponol CC
1-Hexadecanol
Atalco C
Cetyl alcohol NF
Cetyl alcohol, analytical standard
Hexadecyl alcohol, normal
Lanol C
Rita CA
1-Hexadecyl alcohol
ACMC-1AJXA
Loxanol K extra
n-Cetyl alcohol
SSD RP
1-Cetanol
16-Hexadecanol
CHEMBL706
Crodacol C95NF
Siponol wax-A
1-Hexadecyl alc
C16 alcohol
Crodacol C70
Eutanol G16
n-1-Hexadecanol
936JST6JCN
Adol 52NF
Alfol 16RD
Cetyl alcohol (hexadecanol)
Epal 16NF
Hexadecan-1-ol
Hexadecanol (VAN)
Hyfatol 16
Lanette 16
Laurex 16
Lorol C16
LorolL 24
SCHEMBL3381
AC1L1E85
Adol 52
Adol 54
Aldol 54
Alfol 16
Epal 16
KSC206A8T
Lorol 24
ARONIS25150
Crodacol C95 NF
Dehydag wax 16
NSC4194
Product 308
UNII-936JST6JCN
Adol 520
Alcohol C-16
Cachalot C-50
Cachalot C-51
Cachalot C-52
Cetanol (TN)
CTK1A6089
HMDB03424
n-Hexadecan-1-ol
Philcohol 1600
Adol 52 NF
Cetyl alcohol (NF)
Cetyl alcohol [NF]
Dytol F-11
Kalcol 6098
NE10353
UNII-2DMT128M1S component BXWNKGSJHAJOGX-UHFFFAOYSA-N
UNII-S4827SZE3L component BXWNKGSJHAJOGX-UHFFFAOYSA-N
bmse000487
C00823
Cetyl alcohol, European Pharmacopoeia (EP) Reference Standard
D00099
Fatty alcohol(C16)
HMS3652H05
HSDB 2643
1-Hexadecanol, >=99%
Cachalot C-50 NF
CO-1670
CO-1695
CS-D1348
DTXSID4027991
FEMA Number 2554
LP003429
LS-2793
NSC 4194
NSC-4194
SBB060167
SSD (Salt/Mix)
ST075158
STL283943
UNII-B1K89384RJ component BXWNKGSJHAJOGX-UHFFFAOYSA-N
1-Hexadecanol, 95%
Cetanol (JP17)
Cetyl Alcohol, pharmaceutical secondary standard; traceable to USP and PhEur
Cetyl alcohol, United States Pharmacopeia (USP) Reference Standard
CHEBI:16125
DSSTox_CID_7991
Loxiol VPG 1743
ZINC8214519
AK-48193
ANW-28459
Caswell No. 165D
DSSTox_GSID_27991
Hyfatol 16-95
SC-18656
ST2415347
TRA0159983
DSSTox_RID_78633
LMFA05000061
MFCD00004760
SSD RP (Salt/Mix)
AI3-00755
KB-218917
RTR-036616
TR-036616
AKOS005287456
Alcohols, C14-18
EPA Pesticide Chemical Code 001508
xOemicro (1/4)
BRN 1748475
FEMA No. 2554
I14-18880
Michel XO-150-16
EN300-19351
Tox21_111609
Tox21_300325
124-29-8
F0001-1047
1-Hexadecanol, ReagentPlus(R), 99%
8014-51-5
8023-37-8
8032-16-4
8032-17-5
8032-89-1
MCULE-9457426256
NCGC00159368-02
NCGC00159368-03
NCGC00159368-04
NCGC00159368-05
NCGC00159368-06
NCGC00254286-01
AB01566915_01
Cetyl alcohol, SAJ special grade, >=98.0%
EINECS 252-964-9
EINECS 253-149-0
29354-98-1
36653-82-4
51260-59-4
55069-45-9
Cetyl alcohol, Selectophore(TM), >=99.0%
Cetyl alcohol, puriss., 95.0%
SR-01000944409
Tox21_111609_1
1-Hexadecanol, Vetec(TM) reagent grade, 94%
CAS-36653-82-4
MolPort-001-783-290
1173838-87-3
1-E(R)AuIe (1/4)
SR-01000944409-1
19141-82-3 (aluminum salt)
Cetyl alcohol, puriss., >=99.0% (GC)
S4173,36653-82-4
4-01-00-01876 (Beilstein Handbook Reference)
810F139F-C57E-4DF1-916A-A320AD0DAF4D
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
Molweight242.447
LogP6.14
Atoms51
Bonds50
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Simplexn/aGu et al., 2007
BacteriaBacillus Subtilisn/aGu et al., 2007
BacteriaBacillus Weihenstephanensisn/aGu et al., 2007
BacteriaMicrobacterium Oxydansn/aGu et al., 2007
BacteriaSerratia Marcescensn/aGu et al., 2007
BacteriaStenotrophomonas Maltophilian/aGu et al., 2007
BacteriaStreptomyces Lateritiusn/aGu et al., 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a