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1-(2-Thienyl)-1-propanone

1-(2-Thienyl)-1-propanone structure

CAS No:
13679-75-9
Formula:
C7H8OS
Chemical Name:
1-(2-Thienyl)-1-propanone
Synonyms:
1-Propanone,1-(2-thienyl)-;1-(2-Thienyl)-1-propanone;Ethyl 2-thienyl ketone;2-Propionylthiophene;2-Propanoylthiophene;1-(Thiophen-2-yl)propan-1-one;NSC 76041;213611-32-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

2-Propanoylthiophene is an aromatic ketone.

1-(2-Thienyl)-1-propanone Basic Attributes

Molecular Weight：

140.20300

Exact Mass：

140.20

EC Number：

237-182-8

UNII：

NY658TVP5M

NSC Number：

76041

DSSTox ID：

DTXSID70159933

HScode：

2934999090

Characteristics

PSA：

45.31000

XLogP3：

2.34080

Appearance：

clear colourless to light brown liquid

Density：

1.1390 g/cm³ @ Temp: 20 °C

Melting Point：

57.00°C.@760.00mmHg

Boiling Point：

128-129 °C @ Press: 25 Torr

Flash Point：

100ºC

Refractive Index：

1.552-1.554

Water Solubility：

1686 mg/L @ 25 °C (est)

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.0714mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S36

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280

Hazard Statements：

H302; H312; H332

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1414 companies from 3 notifications to the ECHA C&L Inventory.

1-(2-Thienyl)-1-propanone Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:140.20
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:140.02958605
Monoisotopic Mass:140.02958605
Topological Polar Surface Area:45.3
Heavy Atom Count:9
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2-Thienyl)-1-propanone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

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