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2-Methyl-3-heptanone

2-Methyl-3-heptanone structure

CAS No:
13019-20-0
Formula:
C8H16O
Chemical Name:
2-Methyl-3-heptanone
Synonyms:
3-Heptanone,2-methyl-;2-Methyl-3-heptanone;NSC 21978;Butyl isopropyl ketone;6-Methyl-5-heptanone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colourless to pale yellow liquid

2-Methyl-3-heptanone Basic Attributes

Molecular Weight：

128.21200

Exact Mass：

128.21

EC Number：

235-877-0

UNII：

CH4JHS76WY

NSC Number：

21978

DSSTox ID：

DTXSID3073395

HScode：

2914190090

Characteristics

PSA：

17.07000

XLogP3：

2.40170

Appearance：

COLORLESS LIQUID

Density：

0.816 g/cm³ @ Temp: 20 °C

Boiling Point：

158 °C

Flash Point：

110 °F

Refractive Index：

n20/D 1.411(lit.)

Water Solubility：

insoluble in water; soluble in fats|Miscible at room temperature (in ethanol)

Vapor Pressure：

2.53mmHg at 25°C

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; S26; S36/37/39

Marks：

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Methyl-3-heptanone Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:128.21
XLogP3:2.4
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 2-Methyl-3-heptanone

Compound Net Biotechnology Inc. Contact Supplier

CN
2 YRS

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

13019-20-0 2-methylheptan-3-one

CAS No.: 13019-20-0

Grade: Industrial Grade

Content: 95%

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