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3-Methylcyclopentanone

3-Methylcyclopentanone structure

CAS No:
1757-42-2
Formula:
C6H10O
Chemical Name:
3-Methylcyclopentanone
Synonyms:
Cyclopentanone,3-methyl-;3-Methylcyclopentanone;3-Methyl-1-cyclopentanone;1-Methyl-3-cyclopentanone;(±)-3-Methylcyclopentanone;NSC 25212;6195-92-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR SLIGHTLY YELLOW LIQUID

3-Methylcyclopentanone Basic Attributes

Molecular Weight：

98.14

Exact Mass：

98.14

BRN：

1305074

EC Number：

217-148-9

NSC Number：

25212

HScode：

29142900

Characteristics

PSA：

17.07000

XLogP3：

0.69

Appearance：

Clear slightly yellow Liquid

Density：

0.8593 g/cm³ @ Temp: 81.8 °C

Melting Point：

57.5-59.5 °C

Boiling Point：

143 °C

Flash Point：

98 °F

Refractive Index：

n 20/D 1.434(lit.)

Water Solubility：

soluble

Storage Conditions：

Flammables area

Vapor Pressure：

5.8mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1224 3/PG 3

wgk germany：

hazard class code：

safety instructions：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-methylcyclopentanone

3-Methylcyclopentanone Use and Manufacturing

3-Methylcyclopentanone is a metabolite used for the synthesis of various pharmaceutical derivatives and was found to be a degredation product of Phytosterols.

Computed Properties

Molecular Weight:98.14
XLogP3:0.8
Hydrogen Bond Acceptor Count:1
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:86.2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Methylcyclopentanone

Unit Price: $18200-19000 /G EXW

CAS No.: 1757-42-2

Grade: Industrial Grade

Content: 98%

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