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

octyl mercaptan
1-octylthiol

Supplier Sponsors

Name:octane-1-thiol
CAS Number: 111-88-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-918-1
FDA UNII:42GO2PA46L
Nikkaji Web:J5.116K
Beilstein Number:1733101
MDL:MFCD00004912
XlogP3:4.40 (est)
Molecular Weight:146.29646000
Formula:C8 H18 S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
 
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:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84300 to 0.84700 @ 20.00 °C.
Pounds per Gallon - (est).: 7.023 to 7.056
Refractive Index:1.45200 to 1.45600 @ 20.00 °C.
Boiling Point: 199.00 to 200.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.494000 mm/Hg @ 25.00 °C. (est)
Flash Point: 154.00 °F. TCC ( 67.78 °C. )
logP (o/w): 4.499 (est)
Soluble in:
 alcohol
 water, 19.84 mg/L @ 25 °C (est)
Similar Items:note
allyl mercaptan
amyl mercaptan
isoamyl mercaptan
sec-amyl mercaptan
tert-amyl mercaptan
benzyl mercaptan
buchu mercaptan
butyl mercaptan
isobutyl mercaptan
tert-butyl mercaptan
cetyl mercaptan
cyclohexyl mercaptan
cyclopentyl mercaptan
decyl mercaptan
dodecyl mercaptan
2-ethyl hexyl mercaptan
ethyl mercaptan
ethylene mercaptan
furfuryl mercaptan
grapefruit mercaptan
heptyl mercaptan
hexyl mercaptan
methyl mercaptan
2-naphthyl mercaptan
nonyl mercaptan
peach mercaptan
1-phenethyl mercaptan
2-phenethyl mercaptan
phenyl mercaptan
prenyl mercaptan
propyl mercaptan
isopropyl mercaptan
2-thienyl mercaptan
3-thienyl mercaptan
tridecyl mercaptan
undecyl mercaptan
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Odor Description:at 0.10 % in dipropylene glycol. sulfurous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Arkema
Normal octyl mercaptan
Odor: characteristic
Use: NOM (NORMAL OCTYL MERCAPTAN) is commonly used in the manufacturing process of various polymers (PMMA, PAN...).
Chevron Phillips
n-Octyl Mercaptan
Endeavour Specialty Chemicals
Octylmercatan
Speciality Chemical Product Groups
Penta International
OCTYL MERCAPTAN
Santa Cruz Biotechnology
For experimental / research use only.
1-Octanethiol
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Octanethiol ≥98.5%
TCI AMERICA
For experimental / research use only.
1-Octanethiol >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Octyl Mercaptan
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves 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: natural substances and extractives
Recommendation for octyl mercaptan usage levels up to:
 not for fragrance use.
 
Recommendation for octyl 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
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):111-88-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8144
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
octane-1-thiol
Chemidplus:0000111886
EPA/NOAA CAMEO:hazardous materials
RTECS:RG9740000 for cas# 111-88-6
 
References:
 octane-1-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:111-88-6
Pubchem (cid):8144
Pubchem (sid):134975360
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2901.29.5000
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 couroupita guianensis aubl. flower oil brazil @ 0.10%
Data GC Search Trop Picture
 
Synonyms:
N-capryl mercaptan
 mercaptan C8
1-mercaptooctane
1-octane thiol
 octane-1-thiol
1-octanethiol
N-octanethiol
N-octanethiolate
N-octyl mercaptan
1-octyl thiol
 octylmercaptan
N-octylmercaptan
 octylthiol
1-octylthiol
 

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Notes:
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