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3-Methyl-2,4-pentanedione

3-Methyl-2,4-pentanedione structure

CAS No:
815-57-6
Formula:
C6H10O2
Chemical Name:
3-Methyl-2,4-pentanedione
Synonyms:
2,4-Pentanedione,3-methyl-;3-Methyl-2,4-pentanedione;3-Methylacetylacetone;3-Methylacetoacetone;NSC 100644;NSC 100645;NSC 15756;3-Methylpentan-2,4-dione
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colourless to yellow liquid

3-Methyl-2,4-pentanedione Basic Attributes

Molecular Weight：

114.14

Exact Mass：

114.14

BRN：

635909

EC Number：

212-420-3

NSC Number：

15756

DSSTox ID：

DTXSID70231142

HScode：

2914190090

Characteristics

PSA：

34.1

XLogP3：

0.80050

Appearance：

clear colourless to yellow liquid

Density：

0.9769 g/cm³ @ Temp: 19.4 °C

Melting Point：

203 °C

Boiling Point：

60-65 °C @ Press: 13 Torr

Flash Point：

134 °F

Refractive Index：

n20/D 1.442(lit.)

Water Solubility：

soluble in water.

Storage Conditions：

0-10°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1224 3/PG 3

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-methyl-2,4-pentanedione

Computed Properties

Molecular Weight:114.14
XLogP3:0.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:8
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Methyl-2,4-pentanedione

CAS No.: 815-57-6

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Guide of 3-Methyl-2,4-pentanedione

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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3-Methyl-2,4-pentanedione

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