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Tetrahydrothiophen-3-one

Tetrahydrothiophen-3-one structure

CAS No:
1003-04-9
Formula:
C4H6OS
Chemical Name:
Tetrahydrothiophen-3-one
Synonyms:
3(2H)-Thiophenone,dihydro-;Dihydro-3(2H)-thiophenone;3-Thiophanone;3-Thiacyclopentanone;Tetrahydrothiophen-3-one;4,5-Dihydrothiophen-3(2H)-one;3-Oxo-2,3,4,5-tetrahydrothiophene;3-Oxotetrahydrothiophene;Thiolan-3-one;NSC 241151;Dihydrothiophen-3-one;Tetrahydrothien-3-one;Dihydrothien-3(2H)-one
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

4,5-Dihydro-3-(2H)thiophenone has a garlic meaty, green vegetable, buttery odor. It is a heterocyclic nonaromatic ketone. Clear light yellow liquidTetrahydro-thiophene-3-one is a heterocyclic nonaromatic ketone. It has a garlic meaty, green vegetable, buttery odor. It is present in cooked beef, coffee, roast filbert, and roasted peanut. Tetrahydro-thiophene-3-one is used as a food flavoring agent.

Liquid|colourless to yellow liquid with garlic, meaty, green vegetable, buttery odour

Tetrahydrothiophen-3-one Basic Attributes

Molecular Weight：

102.15

Exact Mass：

102.15

BRN：

105201

EC Number：

213-698-9

UNII：

0E9MKH53DV

NSC Number：

241151

DSSTox ID：

DTXSID9061388

HScode：

29349990

Characteristics

PSA：

42.4

XLogP3：

0.4

Appearance：

Colorless to pale yellow Liquid

Density：

1.194 g/mL at 25 °C(lit.)

Boiling Point：

58.2-58.4 °C @ Press: 7 Torr

Flash Point：

171 °F

Refractive Index：

n 20/D 1.528(lit.)

Water Solubility：

1.924e+005 mg/L @ 25 °C (est)

Storage Conditions：

2-8°C

Vapor Pressure：

1.16mmHg at 25°C

Vapor Density：

>1 (vs air)

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-36/37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (93.54%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1547 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Tetrahydrothiophen-3-one Use and Manufacturing

Methods of Manufacturing

It is obtained by treating 4-methoxycarboxy-3-oxythiophene with 10% sulfuric acid solution.

Uses

Used for blending soft drinks, beverage, meat products, confectionery, and milk product flavors.

Manufacturing Info：

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

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:102.16
XLogP3:0.4
Hydrogen Bond Acceptor Count:2
Exact Mass:102.01393598
Monoisotopic Mass:102.01393598
Topological Polar Surface Area:42.4
Heavy Atom Count:6
Complexity:69.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Tetrahydrothiophen-3-one

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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