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1,3-dithiane
General Material Information
| Preferred name | 1,3-dithiane |
| Trivial Name | 1,3-Dithiane |
| Short Description | 1,3-dithiacyclohexane |
| Formula | C4 H8 S2 |
| CAS Number | 505-23-7 |
| ECHA Number | 208-006-7 |
| FDA UNII | 63527N060G |
| Nikkaji Number | J101.091C |
| Beilstein Number | 102534 |
| MDL | MFCD00006654 |
| xLogP3-AA | 1.80 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 1,3-dithiane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 10451 |
| Pubchem (sid): | 134976289 |
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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB31473 |
| FooDB: | FDB008046 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 120.23776245117 |
| Boiling Point | 195 to 196°C @ 760 mm Hg |
| Vapor Pressure | 0.602 mmHg @ 25 °C |
| Flash Point TCC Value | 90.6 °C TCC |
| logP (o/w) | 1.729 est |
| Solubility | |
| alcohol, hot | Yes |
| water, 1384 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Alliaceous | |
| alliaceous, roasted | |
| General comment | At 0.01 % in propylene glycol. alliaceous roasted |
| Flavor Type: Onion | |
| onion, garlic, metallic | |
| General comment | Onion garlic metallic |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Flavoring purposes | Meat |
Safety Information
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-mouse LD50 1500 mg/kg European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 461, 1984. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| natural substances and extractives | |||
| Recommendation for 1,3-dithiane usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 1,3-dithiane 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 ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :10451 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1,3-dithiane |
| Chemidplus:0000505237 |
| RTECS:JO5070000 for cas# 505-23-7 |