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Propyl isobutyrate

Propyl isobutyrate structure

CAS No:
644-49-5
Formula:
C7H14O2
Chemical Name:
Propyl isobutyrate
Synonyms:
Propanoic acid,2-methyl-,propyl ester;Isobutyric acid,propyl ester;Propyl isobutyrate;Propyl 2-methylpropanoate;n-Propyl isobutyrate;NSC 406702
Categories:
Inorganic Chemistry > Inorganic Salts

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Description

Propyl isobutyrate has a pineapple-like odor and a corresponding sweet flavor.

colourless liquid/pineapple odour

Propyl 2-methylpropanoate is a carboxylic ester.

Propyl isobutyrate Basic Attributes

Molecular Weight：

130.18500

Exact Mass：

130.18

EC Number：

211-417-4

UNII：

Q0080Q3HHP

NSC Number：

406702

DSSTox ID：

DTXSID30214653

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

1.59560

Appearance：

colourless liquid/pineapple odour

Density：

0.863 g/mL at 25 °C(lit.)

Melting Point：

-95.2°C (estimate)

Boiling Point：

135.4 °C

Flash Point：

80 °F

Refractive Index：

n20/D 1.395(lit.)

Water Solubility：

soluble in organic solvents, alcohol; insoluble in water

Vapor Pressure：

8.40 mmHg

Safety Information

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

R10

safety instructions：

S16

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, 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, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 155 companies from 1 notifications to the ECHA C&L Inventory.

Propyl isobutyrate Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:130.18
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:86.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Propyl isobutyrate

NANTONG REFORM PETRO-CHEMICAL CO.,LTD Contact Supplier

CN
4 YRS

Business licensed Certified factory

Manufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment Chemicals

ISOBUTYRIC ACID N-PROPYL ESTER 644-49-5

CAS No.: 644-49-5

Grade: Industrial Grade

Content: 99%

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Guide of Propyl isobutyrate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Propyl isobutyrate

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