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sec-Butyl butyrate

sec-Butyl butyrate structure

CAS No:
819-97-6
Formula:
C8H16O2
Chemical Name:
sec-Butyl butyrate
Synonyms:
Butanoic acid,1-methylpropyl ester;Butyric acid,sec-butyl ester;sec-Butyl butyrate;sec-Butyl butanoate;1-Methylpropyl butyrate;1-Methylpropyl butanoate;116783-24-5

Description

ChEBI: A butyrate ester obtained by the formal condensation of butyric acid with butan-2-ol.

Sec-butyl butyrate is a butyrate ester obtained by the formal condensation of butyric acid with butan-2-ol. It has a role as a metabolite. It derives from a butan-2-ol.

sec-Butyl butyrate Basic Attributes

Molecular Weight：

144.21100

Exact Mass：

144.21

EC Number：

212-465-9

Characteristics

PSA：

26.30000

XLogP3：

2.12820

Density：

0.8572 g/cm³ @ Temp: 16 °C

Melting Point：

-88.07°C (estimate)

Boiling Point：

151.5 °C @ Press: 747 Torr

Flash Point：

46.7ºC

Refractive Index：

1.411

Safety Information

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

sec-Butyl butyrate Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:144.21
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:99.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

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2-bromo-6-[7-butyryl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-methoxyphenyl butyrate Formula

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BETA-NAPHTHYL BUTYRATE Formula

5856-33-7
α-Methylbenzyl butyrate Structure

3460-44-4
Amyl butyrate Structure

540-18-1
What is sec-Butyl benzoate

3306-36-3
What is sec-Butyl isothiocyanate

4426-79-3

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Guide of sec-Butyl butyrate

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

sec-Butyl butyrate

SDS

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