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2-Propen-1-yl pentanoate

2-Propen-1-yl pentanoate structure

CAS No:
6321-45-5
Formula:
C8H14O2
Chemical Name:
2-Propen-1-yl pentanoate
Synonyms:
Pentanoic acid,2-propen-1-yl ester;Valeric acid,allyl ester;Pentanoic acid,2-propenyl ester;2-Propen-1-yl pentanoate;Allyl valerate;NSC 32631;Allyl pentanoate

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Description

Allyl valerate is a fatty acid ester.

2-Propen-1-yl pentanoate Basic Attributes

Molecular Weight：

142.2

Exact Mass：

142.20

EC Number：

228-675-9

UNII：

YZV641464H

NSC Number：

32631

DSSTox ID：

DTXSID70212577

HScode：

2915600000

Characteristics

PSA：

26.30000

XLogP3：

1.90580

Density：

0.9105 g/cm³ @ Temp: 20 °C

Boiling Point：

40-45 °C @ Press: 2 Torr

Flash Point：

58.9ºC

Refractive Index：

1.423

Water Solubility：

411.7 mg/L @ 25 °C (est)

Safety Information

GHS Classification：

|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, and P501

2-Propen-1-yl pentanoate Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:142.20
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Propen-1-yl pentanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

2-Propen-1-yl pentanoate

SDS

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