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2-methyl-1,3-dithiane

Chemical Structure

General Material Information

Preferred name 2-methyl-1,3-dithiane
Trivial Name 2-Methyl-1,3-dithiane
Short Description 1,3-dithiane, 2-methyl-
Formula C5 H10 S2
CAS Number 6007-26-7
ECHA Number 227-859-6
FDA UNII Search
Nikkaji Number J145.076J
Beilstein Number 0102766
MDL MFCD00014652
xLogP3-AA 2.20 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • 1,3-dithiane, 2-methyl-
  • m- dithiane, 2-methyl-
  • 2-methyl-m-dithiane
  • 2-methyl-meta-dithiane
  • 1,3-Dithiane, 2-methyl-
  • m-Dithiane, 2-methyl-
  • Acetaldehyde, cyclic trimethylene mercaptal
  • 2-Methyl-m-dithiane
  • 2-Methyl-1,3-dithian
  • NSC 249337

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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2934.90.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 134.26469421387
Specific gravity @ 25 °C
Pounds per Gallon
Boiling Point 201 to 202°C @ 760 mm Hg
Vapor Pressure 0.428 mmHg @ 25 °C
Flash Point TCC Value 82.2 °C TCC
logP (o/w) 2.265 est
Solubility
alcohol Yes
water, 537.6 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
General comment At 0.10 % in dipropylene glycol. sulfurous
Flavor Type: Onion
onion, metallic
General comment Onion metallic

Potential Uses

Applications
Flavoring purposes Vegetable

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 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

Category:
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
2-methyl-1,3-dithiane
Chemidplus:0006007267
RTECS:JO5263000 for cas# 6007-26-7