Preferred name | 3-methyl-1,2-dithiolane |
Trivial Name | 3-methyldithiolane |
Short Description | 1,2-dithiolane, 3-methyl- |
Formula | C4 H8 S2 |
CAS Number | 55487-20-2 |
FDA UNII | Search |
Nikkaji Number | J461.709F |
xLogP3-AA | 1.50 (est) |
NMR Predictor | External link |
Synonyms |
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Perfumer & Flavorists | Start search |
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NCBI | Start search |
(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 |
ChemSpider: | View |
Material listed in food chemical codex | No |
Molecular weight | 120.23776245117 |
Boiling Point | 159 to 160°C @ 760 mm Hg |
Vapor Pressure | 3.243 mmHg @ 25 °C |
Flash Point TCC Value | 77.3 °C TCC |
logP (o/w) | 2.541 est |
Solubility | |
alcohol | Yes |
water, 525.9 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Sulfurous | |
General comment | At 0.10 % in dipropylene glycol. sulfurous |
Flavor Type: Onion | |
onion, metallic, cooked, beefy, vegetable, beefy roasted beefy | |
General comment | Onion metallic cooked beef braised vegetable |
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 |
Category: | |||
information only not used for fragrances or flavors | |||
Recommendation for 3-methyl-1,2-dithiolane usage levels up to: | |||
not for fragrance use. | |||
Recommendation for 3-methyl-1,2-dithiolane flavor usage levels up to: | |||
not for flavor use. |
EPI System: View |
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EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :525446 |
National Institute of Allergy and Infectious Diseases:Data |
3-methyldithiolane |