Articles:
| PubMed: | Evaluation of acute toxicity of essential oil of garlic (Allium sativum) and its selected major constituent compounds against overwintering Cacopsylla chinensis (Hemiptera: Psyllidae). |
1,3-dithiacyclohexane
Notes:
Constit. of garlic and other Allium spp.
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| CAS Number: | 505-23-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 208-006-7 | |
| FDA UNII: | 63527N060G | |
| Nikkaji Web: | J101.091C | |
| Beilstein Number: | 102534 | |
| MDL: | MFCD00006654 | |
| XlogP3-AA: | 1.80 (est) | |
| Molecular Weight: | 120.23776000 | |
| Formula: | C4 H8 S2 | |
| 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:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 54.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 195.00 to 196.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.602000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 195.00 °F. TCC ( 90.60 °C. ) (est) |
| logP (o/w): | 1.729 (est) |
| Soluble in: | |
| alcohol, hot | |
| water, 1384 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: alliaceous | |
| Odor Strength: | high , recommend smelling in a 0.01 % solution or less |
| alliaceous roasted | |
| Odor Description: at 0.01 % in propylene glycol. | alliaceous roasted |
| Flavor Type: onion | |
| onion garlic metallic | |
| Taste Description: | onion garlic metallic |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 1,3-Dithiane |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 1,3-Dithiane |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 1,3-Dithiane 97% |
| TCI AMERICA |
| For experimental / research use only. |
| 1,3-Dithiane >97.0%(GC) |
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 |
| 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 |
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 |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| meat | FL |
Occurrence (nature, food, other): note
| garlic bulb Search Trop Picture |
Synonyms:
| 1,3- | dithiacyclohexane |
| m- | dithiane |
| meta- | dithiane |