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3-Ethyl-2,4-pentanedione

3-Ethyl-2,4-pentanedione structure

CAS No:
1540-34-7
Formula:
C7H12O2
Chemical Name:
3-Ethyl-2,4-pentanedione
Synonyms:
2,4-Pentanedione,3-ethyl-;3-Ethyl-2,4-pentanedione;3-Ethylacetylacetone;3-Acetyl-2-pentanone;γ-Ethylacetylacetone;NSC 73741
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to light yellow liquid

3-Ethyl-2,4-pentanedione Basic Attributes

Molecular Weight：

128.17

Exact Mass：

128.17

EC Number：

216-272-0

NSC Number：

73741

DSSTox ID：

DTXSID30165510

HScode：

2914190090

Characteristics

PSA：

34.1

XLogP3：

1.19060

Appearance：

Transparent liquid 1-Bromo-3,5-dimethylbenzene

Density：

0.953 g/cm³ @ Temp: 20 °C

Melting Point：

132-133 °C

Boiling Point：

178.5 °C

Flash Point：

152 °F

Refractive Index：

n 20/D 1.442(lit.)

Vapor Pressure：

0.0257mmHg at 25°C

Safety Information

Transport codes：

1224

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:128.17
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:9
Complexity:113
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes