EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes

1,3-dithiane, 2-methyl-

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CAS Number: 6007-26-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:227-859-6
FDA UNII: Search
Nikkaji Web:J145.076J
Beilstein Number:0102766
XlogP3-AA:2.20 (est)
Molecular Weight:134.26470000
Formula:C5 H10 S2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.12100 @ 25.00 °C.
Refractive Index:1.56100 @ 20.00 °C.
Boiling Point: 201.00 to 202.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.428000 mmHg @ 25.00 °C. (est)
Flash Point: 180.00 °F. TCC ( 82.20 °C. ) (est)
logP (o/w): 2.265 (est)
Soluble in:
 water, 537.6 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Type: sulfurous
Odor Description:at 0.10 % in dipropylene glycol. sulfurous
Flavor Type: onion
onion metallic
Taste Description: onion metallic
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
2-Methyl-1,3-dithiane 98%
For experimental / research use only.
Endeavour Specialty Chemicals
Speciality Chemical Product Groups
Robinson Brothers
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methyl-1,3-dithiane 99%
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 1200 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:
information only not used for fragrances or flavors
Recommendation for 2-methyl-1,3-dithiane usage levels up to:
 not for fragrance use.
Recommendation for 2-methyl-1,3-dithiane flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :22329
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
RTECS:JO5263000 for cas# 6007-26-7
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):22329
Pubchem (sid):134986732
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2934.90.5000
Potential Blenders and core components note
None Found
Potential Uses:
Occurrence (nature, food, other):note
 not found in nature
1,3-dithiane, 2-methyl-
m-dithiane, 2-methyl-
None found
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