EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

hexadecane
cetane

Supplier Sponsors

Name:hexadecane
CAS Number: 544-76-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-878-9
FDA UNII:F8Z00SHP6Q
Nikkaji Web:J2.648D
Beilstein Number:1736592
MDL:MFCD00008998
XlogP3:8.30 (est)
Molecular Weight:226.44698000
Formula:C16 H34
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:01.072 (Old)
 
Physical Properties:
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.77300 to 0.77600 @ 20.00 °C.
Pounds per Gallon - (est).: 6.440 to 6.465
Refractive Index:1.43300 to 1.43600 @ 20.00 °C.
Melting Point: 18.00 to 20.00 °C. @ 760.00 mm Hg
Boiling Point: 286.00 to 287.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.005000 mm/Hg @ 25.00 °C. (est)
Vapor Density:7.8 ( Air = 1 )
Flash Point: 275.00 °F. TCC ( 135.00 °C. )
logP (o/w): 8.859 (est)
Soluble in:
 alcohol
 water, 0.0009193 mg/L @ 25 °C (est)
 water, 9.00E-04 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Hexadecane 95%
EMD Millipore
For experimental / research use only.
n-Hexadecane
Penta International
HEXADECANE
Sigma-Aldrich
For experimental / research use only.
Hexadecane purum, ≥98.0% (GC)
TCI AMERICA
For experimental / research use only.
Hexadecane [Standard Material for GC] >99.5%(GC)
Vigon International
Hexadecane 99%
Odor: MILD WAXY
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 36/37 - Wear suitable protective clothing and gloves.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intravenous-mouse LDLo 9821 mg/kg
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
 
Recommendation for hexadecane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):544-76-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11006
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
hexadecane
Chemidplus:0000544763
EPA/NOAA CAMEO:hazardous materials
RTECS:ML9200000 for cas# 544-76-3
 
References:
 hexadecane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:544-76-3
Pubchem (cid):11006
Pubchem (sid):134976869
Flavornet:544-76-3
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
KEGG (GenomeNet):C14499
HMDB (The Human Metabolome Database):HMDB33792
FooDB:FDB011952
Export Tariff Code:2901.10.5000
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
grade: technical, astm
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 allspice plant
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 bay laurel leaf
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 boronia absolute @ 0.04%
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 carnation absolute @ 0.05%
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 cayenne fruit
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 dialium guineense wild.fruit oil france @ 6.30%
Data GC Search Trop Picture
 dill root
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 fenugreek seed
Search Trop Picture
 grapefruit oil c.p. russia @ 0.01%
Data GC Search Trop Picture
 grapefruit oil c.p. russia @ 0.01%
Data GC Search Trop Picture
 herniaria incana lam. oil greece @ 0.30%
Data GC Search Trop Picture
 jasmin absolute china @ 0.13%
Data GC Search Trop Picture
 ketaki flower oil india @ 0.20%
Data GC Search Trop Picture
 lavender oil france @ 0.10%
Data GC Search Trop Picture
 lemon balm tissue culture
Search Trop Picture
 narcissus absolute @ 0.03%
Data GC Search Trop Picture
 papaya seed oil
Search Trop Picture
 pepper bell pepper fruit
Search Trop Picture
 plum fruit
Search Trop Picture
 sunflower seed
Search Trop Picture
 tea leaf
Search Trop Picture
 thyme oil red CO2 extract @ 0.10%
Data GC Search Trop Picture
 ulva rigida oil greece @ 2.00%
Data GC Search PMC Picture
 walnut black walnut oil
Search Trop Picture
 watermelon fruit juice
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 witch hazel leaf oil @ 0.07%
Data GC Search Trop Picture
 
Synonyms:
 cetane
N-cetane
N-hexadecane
 
 
Notes:
Isol. from oil of Piper longum (long pepper) Hexadecane (also called cetane) is an alkane hydrocarbon with the chemical formula C16H34. Hexadecane consists of a chain of 16 carbon atoms, with three hydrogen atoms bonded to the two end carbon atoms, and two hydrogens bonded to each of the 14 other carbon atoms. It has 10,359 constitutional isomers.
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