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2-Acetylthiophene

2-Acetylthiophene structure

CAS No:
88-15-3
Formula:
C6H6OS
Chemical Name:
2-Acetylthiophene
Synonyms:
Ethanone,1-(2-thienyl)-;Ketone,methyl 2-thienyl;1-(2-Thienyl)ethanone;2-Acetylthiophene;Methyl 2-thienyl ketone;2-Thienyl methyl ketone;2-Acetothienone;α-Acetylthiophene;2-Acetothiophene;1-(2-Thienyl)-1-ethanone;NSC 2345;1-(Thiophen-2-yl)ethanone;Thiophen-2-yl methyl ketone;2-(Acetyl)thiofuran;1-(Thiophene-2-yl)ethanone;1-(Thiophen-2-yl)ethan-1-one
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

clear colorless to slightly yellow liquid

Liquid

2-Acetylthiophene is an aromatic ketone.

2-Acetylthiophene Basic Attributes

Molecular Weight：

126.17600

Exact Mass：

126.18

EC Number：

201-804-6

UNII：

5ASO208T20

NSC Number：

2345

DSSTox ID：

DTXSID2058960

HScode：

2934999090

Characteristics

PSA：

45.31000

XLogP3：

1.2

Appearance：

Liquid

Density：

1.1709 g/cm³ @ Temp: 20 °C

Melting Point：

10.5 °C

Boiling Point：

213.5 °C

Flash Point：

91ºC

Refractive Index：

1.564-1.568

Water Solubility：

H2O: 14 mg/mL at 30 °C

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool

Vapor Pressure：

2.7 hPa (50 °C)

Toxicity：

LD50 orally in Rabbit: 25 - 200 mg/kg LD50 dermal Rat 370 mg/kg

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2810 6.1/PG 2

wgk germany：

hazard class code：

R23/24/25

safety instructions：

S28-S36/37/39-S38-S45

RTECS Number：

OB6300000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P264-P280-P301 + P310-P311

Hazard Statements：

H300-H311-H331

GHS Classification：

|Danger|H302 (87.92%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P361, P363, P405, and P501|Aggregated GHS information provided by 1473 companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-acetylthiophene

2-Acetylthiophene Use and Manufacturing

Uses

Pharmaceutical intermediates. Used as a pharmaceutical intermediate Used as a drug intermediate

Manufacturing Info：

Ethanone, 1-(2-thienyl)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:126.18
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:126.01393598
Monoisotopic Mass:126.01393598
Topological Polar Surface Area:45.3
Heavy Atom Count:8
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Dimethylacetamide

L-Ascorbic acid

Acetic acid

Benzene

Phosphoric acid

Downstream Products

o-Phenylenediamine

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Guide of 2-Acetylthiophene

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
Learn More Other Chemicals

2-Acetylthiophene

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