Articles:
| None found yet. Try the PubMed Search. |
2,4,4,6,6-pentamethyl-2-heptanethiol
Notes:
None found
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| CAS Number: | 25103-58-6 |  3D/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 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 |