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4-methyl-1,3-dithiolane

General Material Information

Trivial Name 4-methyl-1,3-dithiolane
Short Description 1,3-dithiolane, 4-methyl-
Formula C4 H8 S2
CAS Number 50363-43-4
FDA UNII Search
Nikkaji Number J91.175E
Beilstein Number 1361434
xLogP3-AA 1.80 (est)
NMR Predictor External link
Synonyms
  • 1,3-dithiolane, 4-methyl-

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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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 120.23776245117
Boiling Point 174 to 175°C @ 760 mm Hg
Vapor Pressure 1.578 mmHg @ 25 °C
Flash Point TCC Value 62.4 °C TCC
logP (o/w) 1.09 est
Solubility
alcohol Yes
water, 1600 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, alliaceous, tomato
General comment At 0.01 % in propylene glycol. sulfurous alliaceous tomato
Flavor Type: Onion
onion, rooty, vegetable, meaty roasted meaty
General comment Onion rooty vegetable

Safety Information

Safety information

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 1000 mg/kg
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
information only not used for fragrances or flavors
Recommendation for 4-methyl-1,3-dithiolane usage levels up to:
not for fragrance use.
Recommendation for 4-methyl-1,3-dithiolane flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
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EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :39655
National Institute of Allergy and Infectious Diseases:Data
4-methyl-1,3-dithiolane
Chemidplus:0050363434