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

heptyl methyl sulfide
heptane, 1-(methylthio)-

Supplier Sponsors

CAS Number: 20291-61-6Picture of molecule3D/inchi
FDA UNII: W6Y753210I
Nikkaji Web:J103.161I
MDL:MFCD00027314
XlogP3:4.20 (est)
Molecular Weight:146.29646000
Formula:C8 H18 S
NMR Predictor:Predict (works with chrome, Edge 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: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 195.00 to 197.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.563000 mmHg @ 25.00 °C. (est)
Flash Point: 164.00 °F. TCC ( 73.33 °C. )
logP (o/w): 4.034 (est)
Soluble in:
 alcohol
 water, 39.35 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Endeavour Specialty Chemicals
n-Heptyl methyl sulphide 96% F&F
Speciality Chemical Product Groups
Robinson Brothers
n-Heptyl methyl sulphide F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich: Aldrich
For experimental / research use only.
Heptyl Methyl Sulfide
TCI AMERICA
For experimental / research use only.
Heptyl Methyl Sulfide >95.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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:
intraperitoneal-rat LD50 12.90 mg/kg

oral-rat LD50 83.50 mg/kg

Dermal Toxicity:
skin-rabbit LD50 600 mg/kg

skin-rat LD50 1594 mg/kg

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for heptyl methyl sulfide usage levels up to:
 not for fragrance use.
 
Recommendation for heptyl methyl sulfide flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :44824
National Institute of Allergy and Infectious Diseases:Data
1-methylsulfanylheptane
Chemidplus:0063834877
 
References:
 1-methylsulfanylheptane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):44824
Pubchem (sid):135004910
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (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
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 heptane, 1-(methylthio)-
 methyl heptane thiol
 methyl heptane-1-thiol
 methyl heptanethiol
 methylheptane-1-thiol
1-methylsulfanylheptane
 
 
Notes:
None found
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