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Hexanoic acid, 5-methyl-3-oxo-, ethyl ester

Hexanoic acid, 5-methyl-3-oxo-, ethyl ester structure

CAS No:
34036-16-3
Formula:
C9H16O3
Chemical Name:
Hexanoic acid, 5-methyl-3-oxo-, ethyl ester
Synonyms:
Hexanoic acid,5-methyl-3-oxo-,ethyl ester;Ethyl 5-methyl-3-oxohexanoate;NSC 69069;5-Methyl-3-oxohexanoic acid ethyl ester;13001-24-6

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Hexanoic acid, 5-methyl-3-oxo-, ethyl ester Basic Attributes

Molecular Weight：

172.22

Exact Mass：

172.22

EC Number：

251-802-4

UNII：

7PIJ0UO5N7

NSC Number：

69069

DSSTox ID：

DTXSID00187643

HScode：

2918300090

Characteristics

PSA：

43.37000

XLogP3：

1.55480

Density：

0.967±0.06 g/cm3

Boiling Point：

99.5 °C @ Press: 12.5 Torr

Flash Point：

82.4ºC

Refractive Index：

1.424

PKA：

10.42±0.46

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:172.22
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:172.109944368
Monoisotopic Mass:172.109944368
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexanoic acid, 5-methyl-3-oxo-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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