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Dihydro-2-methyl-3(2H)-thiophenone

Dihydro-2-methyl-3(2H)-thiophenone structure

CAS No:
13679-85-1
Formula:
C5H8OS
Chemical Name:
Dihydro-2-methyl-3(2H)-thiophenone
Synonyms:
3(2H)-Thiophenone,dihydro-2-methyl-;Dihydro-2-methyl-3(2H)-thiophenone;2-Methyltetrahydrothiophen-3-one;2-Methyl-3-oxotetrahydrothiophene;2-Methylthiophan-3-one;Dihydro-2-methyl-3-thiophenone;2-Methyl-4,5-dihydro-3(2H)-thiophenone;2-Methylthiolan-3-one;74015-70-6
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Light yellow liquid

2-methylthiolan-3-one is a member of the class of tetrahydrothiophenes that is thiolane substituted by a methyl group at position 2 and an oxo group at position 3 respectively. It has a role as a flavouring agent and a metabolite. It is a member of tetrahydrothiophenes and a cyclic ketone. It derives from a hydride of a tetrahydrothiophene.

Dihydro-2-methyl-3(2H)-thiophenone Basic Attributes

Molecular Weight：

116.18

Exact Mass：

116.18

BRN：

106443

EC Number：

237-183-3

HScode：

29309090

Characteristics

PSA：

42.4

XLogP3：

0.8

Density：

1.119 g/mL at 25 °C(lit.)

Boiling Point：

82 °C @ Press: 28 Torr

Flash Point：

160 °F

Refractive Index：

n 20/D 1.508(lit.)

Water Solubility：

insoluble in water; soluble in alcohol, fats

Vapor Pressure：

0.917mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (95.28%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1445 companies from 7 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-methyltetrahydrothiophen-3-one

Dihydro-2-methyl-3(2H)-thiophenone Use and Manufacturing

Manufacturing Info：

3(2H)-Thiophenone, dihydro-2-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:116.18
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Exact Mass:116.02958605
Monoisotopic Mass:116.02958605
Topological Polar Surface Area:42.4
Heavy Atom Count:7
Complexity:90.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Dihydro-2-methyl-3(2H)-thiophenone

Hangzhou Royalchem Co.,LTD Contact Supplier

CN
YRS

Business licensed

Trader Supplier of Pharmaceutical intermediates

2-Methyltetrahydrothiophen-3-one RC05467

Unit Price: $1 /KG EXW

CAS No.: 13679-85-1

Content: 99%

Inquiry

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Guide of Dihydro-2-methyl-3(2H)-thiophenone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Dihydro-2-methyl-3(2H)-thiophenone

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