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Isopropyl benzoate

Isopropyl benzoate structure

CAS No:
939-48-0
Formula:
C10H12O2
Chemical Name:
Isopropyl benzoate
Synonyms:
Benzoic acid,1-methylethyl ester;Benzoic acid,isopropyl ester;Isopropyl benzoate;Benzoic acid iso-propyl ester;1-Methylethyl benzoate
Categories:
Cosmetic Ingredient > Cosmetic Preservative

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Description

Isopropyl benzoate has a sweet, fruity-floral odor.

colourless oily liquid with a heavy, sweet, fruity-floral odour

Isopropyl benzoate is a benzoate ester.

Isopropyl benzoate Basic Attributes

Molecular Weight：

164.2

Exact Mass：

164.20

EC Number：

213-361-6

UNII：

1Q2618834N

DSSTox ID：

DTXSID9044746

HScode：

2916310090

Characteristics

PSA：

26.3

XLogP3：

3.18

Appearance：

colourless oily liquid with a heavy, sweet, fruity-floral odour

Density：

1,01 g/cm3

Melting Point：

-26°C(lit.)

Boiling Point：

216 °C

Flash Point：

102°C

Refractive Index：

1.499

Water Solubility：

insoluble in water; soluble in organic solvents, oils

Vapor Pressure：

3.47e-04 mmHg

Toxicity：

Oral-rat LD50: 3730 mg/kg

Flammability characteristics：

Flammable; in case of water, ethanol decomposes to produce toxic chloride gas

Safety Information

hazard class code：

RTECS Number：

DH3150000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored and transported separately from oxidant

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

Not Classified

Toxicity

Toxicity class：

moderately toxic

Isopropyl benzoate Use and Manufacturing

Uses

High boiling point solvent. Polymerization inhibitor. Make spices.

Processing aids, specific to petroleum production

Production

< 25,000 lb

Manufacturing Info：

Oil and gas drilling, extraction, and support activities|Benzoic acid, 1-methylethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Cosmetics -> Preservative

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:164.20
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Isopropyl benzoate

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

ISOPROPYL BENZOATE

CAS No.: 939-48-0

Content: 99.00%

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Guide of Isopropyl benzoate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Isopropyl benzoate

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