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Hexyl 3-oxobutanoate

Hexyl 3-oxobutanoate structure

CAS No:
13562-84-0
Formula:
C10H18O3
Chemical Name:
Hexyl 3-oxobutanoate
Synonyms:
Butanoic acid,3-oxo-,hexyl ester;Acetoacetic acid,hexyl ester;Hexyl 3-oxobutanoate;Hexyl acetoacetate;n-Hexyl acetylacetate;Hexyl 3-oxo-butanoate
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Hexyl 3-oxobutanoate Basic Attributes

Molecular Weight：

186.25

Exact Mass：

186.25

EC Number：

236-953-6

DSSTox ID：

DTXSID3065534

HScode：

2918300090

Characteristics

PSA：

43.4

XLogP3：

2.08900

Density：

0.96 g/cm3

Boiling Point：

239 °C

Flash Point：

92.3ºC

Refractive Index：

1.43

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hexyl 3-oxobutanoate Use and Manufacturing

Manufacturing Info：

Butanoic acid, 3-oxo-, hexyl ester: INACTIVE

Computed Properties

Molecular Weight:186.25
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:186.125594432
Monoisotopic Mass:186.125594432
Topological Polar Surface Area:43.4
Heavy Atom Count:13
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes