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2-Methyl-1,3-dithiolane

2-Methyl-1,3-dithiolane structure

CAS No:
5616-51-3
Formula:
C4H8S2
Chemical Name:
2-Methyl-1,3-dithiolane
Synonyms:
1,3-Dithiolane,2-methyl-;2-Methyl-1,3-dithiolane;2-Methyl-1,3-dithiacyclopentane;NSC 227863;1,3-Dithia-2-methylcyclopentane
Categories:
Food Additives > Odorants

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Description

2-Methyl-1,3-dithiolane has a burnt, alliaceous odor. Clear colorless liquid

liquid with a burnt alliaceous odour

2-Methyl-1,3-dithiolane Basic Attributes

Molecular Weight：

120.228

Exact Mass：

120.24

EC Number：

227-038-2

UNII：

4O81R0SPR0

NSC Number：

227863

DSSTox ID：

DTXSID8063963

HScode：

2934999090

Characteristics

PSA：

50.6

XLogP3：

1.81240

Appearance：

liquid with a burnt alliaceous odour

Density：

1.1510 g/cm³ @ Temp: 20 °C

Boiling Point：

66-67 °C @ Press: 15 Torr

Flash Point：

62.4ºC

Refractive Index：

1.561

Water Solubility：

insoluble in water; slightly soluble in fat

Safety Information

hazard class code：

20/21/22

safety instructions：

23-36/37/39-45

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

Not Classified

2-Methyl-1,3-dithiolane Use and Manufacturing

Manufacturing Info：

1,3-Dithiolane, 2-methyl-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:120.2
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Exact Mass:120.00674260
Monoisotopic Mass:120.00674260
Topological Polar Surface Area:50.6
Heavy Atom Count:6
Complexity:38.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes