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2-Methyl-3-hexanone

2-Methyl-3-hexanone structure

CAS No:
7379-12-6
Formula:
C7H14O
Chemical Name:
2-Methyl-3-hexanone
Synonyms:
3-Hexanone,2-methyl-;2-Methyl-3-hexanone;Isopropyl propyl ketone;Propyl isopropyl ketone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear, colorless to slightly yellow liquid

2-Methyl-3-hexanone is a ketone.

2-Methyl-3-hexanone Basic Attributes

Molecular Weight：

114.188

Exact Mass：

114.19

EC Number：

230-940-9

DSSTox ID：

DTXSID4073380

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

2.01160

Density：

0.8216 g/cm³ @ Temp: 15 °C

Melting Point：

-46.2°C (estimate)

Boiling Point：

135 °C

Flash Point：

75 °F

Refractive Index：

n20/D 1.406(lit.)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1224 3/PG 3

wgk germany：

hazard class code：

R10

safety instructions：

S16-S29-S33

RTECS Number：

MP3900000

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

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 40 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:114.19
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:74.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Methyl-3-hexanone

Guangzhou Yaoguang Technology Co., Ltd. Contact Supplier

CN
6 YRS

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7379-12-6

CAS No.: 7379-12-6

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