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cetyl mercaptan
1-hexadecanethiol

Supplier Sponsors

Name:hexadecane-1-thiol
CAS Number: 2917-26-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:220-846-6
FDA UNII:QR98QIO1QL
Nikkaji Web:J97.161H
Beilstein Number:1748495
MDL:MFCD00011677
XlogP3:8.30 (est)
Molecular Weight:258.51198000
Formula:C16 H34 S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:information only not used for fragrances or flavors
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84700 to 0.84900 @ 20.00 °C.
Pounds per Gallon - (est).: 7.056 to 7.073
Refractive Index:1.46200 to 1.46400 @ 20.00 °C.
Melting Point: 19.00 to 21.00 °C. @ 760.00 mm Hg
Boiling Point: 332.00 to 334.00 °C. @ 760.00 mm Hg
Boiling Point: 184.00 to 191.00 °C. @ 7.00 mm Hg
Vapor Pressure:0.000230 mm/Hg @ 25.00 °C. (est)
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): 8.140
Soluble in:
 alcohol
 water, 0.002359 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
EMD Millipore
For experimental / research use only.
1-Hexadecanethiol
Endeavour Specialty Chemicals
1-Hexadecanethiol
Speciality Chemical Product Groups
Robinson Brothers
1-Hexadecanethiol
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
1-Hexadecanethiol
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Hexadecanethiol 99%
TCI AMERICA
For experimental / research use only.
1-Hexadecanethiol >97.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for cetyl mercaptan usage levels up to:
 not for fragrance use.
 
Recommendation for cetyl mercaptan flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2917-26-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18015
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3334
WGK Germany:3
hexadecane-1-thiol
Chemidplus:0002917262
EPA/NOAA CAMEO:hazardous materials
 
References:
 hexadecane-1-thiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):18015
Pubchem (sid):134981660
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.9190
Haz-Map:View
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 cetylmercaptan
 hexadecane thiol
 hexadecane-1-thiol
 hexadecanethiol
1-hexadecanethiol
N-hexadecanethiol
 hexadecyl mercaptan
N-hexadecyl mercaptan
 mercaptan C16
 
 
Notes:
None found
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