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1,3-dithiane

Chemical Structure

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
  • 1,3-dithiacyclohexane
  • m- dithiane
  • meta- dithiane
  • m-Dithiane
  • 1,3-Dithiacyclohexane
  • NSC 157830

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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

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