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1,3-dithiane
1,3-dithiacyclohexane

Supplier Sponsors

CAS Number: 505-23-7Picture of molecule3D/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
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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 mm/Hg @ 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:
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
Env. Mutagen Info. Center: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 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FLmeat
 
Occurrence (nature, food, other):note
 garlic bulb
Search Trop Picture
 
Synonyms:
1,3-dithiacyclohexane
m-dithiane
meta-dithiane
 
 
Notes:
Constit. of garlic and other Allium spp.
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