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tert-dodecane thiol
2,4,4,6,6-pentamethyl-2-heptanethiol

Supplier Sponsors

CAS Number: 25103-58-6Picture of molecule3D/inchi
Other(deleted CASRN):119147-91-0
ECHA EINECS - REACH Pre-Reg:246-619-1
FDA UNII: G00MDQ58TB
Nikkaji Web:J76.265B
Beilstein Number:1738382
XlogP:5.80 (est)
Molecular Weight:202.40422000
Formula:C12 H26 S
BioActivity Summary:listing
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
FDA Mainterm (IAUFC):25103-58-6 ; TERT-DODECYLMERCAPTAN
 
Physical Properties:
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.85900 @ 25.00 °C.
Boiling Point: 210.00 to 212.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.257000 mmHg @ 25.00 °C. (est)
Flash Point: 156.00 °F. TCC ( 68.89 °C. )
logP (o/w): 5.617 (est)
Soluble in:
 alcohol
 water, 0.2801 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Arkema
Tertiarydodecylmercaptan
Odor: characteristic
Use: TDM (TERTIARYDODECYLMERCAPTAN) is commonly used in the manufacturing process of polymers based on butadiene and styrene (SB latex, SB rubber, ABS...)
BOC Sciences
For experimental / research use only.
tert-dodecylmercaptan 95%
Chevron Phillips
Sulfole® 120 t-dodecyl mercaptan
EMD Millipore
For experimental / research use only.
tert-Dodecanethiol (mixture of isomers)
Santa Cruz Biotechnology
For experimental / research use only.
tert-Dodecylmercaptan
Sigma-Aldrich: Aldrich
For experimental / research use only.
tert-Dodecylmercaptan 98.5%
TCI AMERICA
For experimental / research use only.
tert-Dodecyl Mercaptan (mixture of isomers) >98.0%(T)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 36/38 - Irritating to skin and eyes.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
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.
S 60 - This material and its container must be disposed of as hazardous waste.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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 1833 mg/kg
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 64, 1982.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for tert-dodecane thiol usage levels up to:
 not for fragrance use.
 
Recommendation for tert-dodecane thiol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):25103-58-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :32793
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:2
2,3,3,4,4,5-hexamethylhexane-2-thiol
Chemidplus:0025103586
EPA/NOAA CAMEO:hazardous materials
RTECS:JR3150000 for cas# 25103-58-6
 
References:
 2,3,3,4,4,5-hexamethylhexane-2-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:25103-58-6
Pubchem (cid):32793
Pubchem (sid):134997236
 
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
FDA Indirect Additives used in Food Contact Substances:View
CHEMBL:View
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:
tert-dodecanethiol
tert-dodecyl mercaptan
tert-dodecylmercaptan
tert-dodecylthiol
2,3,3,4,4,5-hexamethyl-2-hexanethiol
2,3,3,4,4,5-hexamethylhexane-2-thiol
2-hexanethiol, 2,3,3,4,4,5-hexamethyl-
2,4,4,6,6-pentamethyl heptane-2-thiol
2,4,4,6,6-pentamethyl-2-heptane thiol
2,4,4,6,6-pentamethyl-2-heptanethiol
 
 
Notes:
None found
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