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6-Methyl-2-heptanone

6-Methyl-2-heptanone structure

CAS No:
928-68-7
Formula:
C8H16O
Chemical Name:
6-Methyl-2-heptanone
Synonyms:
2-Heptanone,6-methyl-;6-Methyl-2-heptanone;2-Methyl-6-heptanone;Methyl isohexyl ketone;NSC 39665;2-Isooctanone;Isooctan-2-one;6-Methylhept-2-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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6-Methyl-2-heptanone Basic Attributes

Molecular Weight：

128.21

Exact Mass：

128.21

EC Number：

213-179-7

NSC Number：

39665

DSSTox ID：

DTXSID7061302

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

2.2

Appearance：

Colorless liquid with characteristic odor

Density：

0.8151 g/cm³ @ Temp: 20 °C

Melting Point：

-32.24°C (estimate)

Boiling Point：

167 °C

Flash Point：

44.6ºC

Refractive Index：

1.409

Safety Information

Packing level：

Ⅲ

Hazard category：

3.2

Transport codes：

1224

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 43 companies from 4 notifications to the ECHA C&L Inventory.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Drug Information

MeSH Entry Terms：

2-methyl-6-heptanone

6-Methyl-2-heptanone Use and Manufacturing

Manufacturing Info：

2-Heptanone, 6-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:128.21
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:84.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 6-Methyl-2-heptanone

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6-METHYL-2-HEPTANONE

CAS No.: 928-68-7

Content: 99.00%

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