ChemicalBook--->CAS DataBase List--->939-48-0

939-48-0

939-48-0 Structure

939-48-0 Structure
IdentificationMore
[Name]

ISOPROPYL BENZOATE
[CAS]

939-48-0
[Synonyms]

BENZOIC ACID ISOPROPYL ESTER
ISOPROPYL BENZOATE
1-methylethylbenzoate
Benzoicacid,1-methylethylester
Isopropylester kyseliny benzoove
isopropylesterkyselinybenzoove
isopropylbenzoate,1-methylethylbenzoate
Isopropylbenzoat
Benzoic acid isopropyl
[EINECS(EC#)]

213-361-6
[Molecular Formula]

C10H12O2
[MDL Number]

MFCD00048289
[Molecular Weight]

164.2
[MOL File]

939-48-0.mol
Chemical PropertiesBack Directory
[Melting point ]

-26°C(lit.)
[Boiling point ]

218°C
[density ]

1,01 g/cm3
[vapor pressure ]

19.4Pa at 25℃
[FEMA ]

2932
[refractive index ]

1.4940 (20℃)
[Fp ]

102°C
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Pale Yellow
[Specific Gravity]

1.02
[Odor]

at 100.00 %. sweet fruity floral balsamic
[Odor Type]

floral
[Water Solubility ]

1mg/L at 20℃
[JECFA Number]

855
[Cosmetics Ingredients Functions]

FRAGRANCE
PRESERVATIVE
[Cosmetic Ingredient Review (CIR)]

Isopropyl Benzoate (939-48-0)
[InChI]

1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
[InChIKey]

FEXQDZTYJVXMOS-UHFFFAOYSA-N
[SMILES]

CC(C)OC(=O)c1ccccc1
[LogP]

2.93 at 20℃
[CAS DataBase Reference]

939-48-0(CAS DataBase Reference)
[EPA Substance Registry System]

Isopropyl benzoate (939-48-0)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 2
[RTECS ]

DH3150000
[TSCA ]

TSCA listed
[HS Code ]

2916.31.5000
[REACH Registrations]

Inactive
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

isopropyl benzoate(939-48-0).msds
Hazard InformationBack Directory
[Description]

Synthesis: By heating benzoyl chloride and isopropyl alcohol.
[Chemical Properties]

Isopropyl benzoate is a colorless liquid that has a sweet, fruity-floral odor. It can dissolve in acetone and ether, but does not dissolve in water.?
[Occurrence]

Reported found in apple, pear, cocoa, honey and feyoa fruit (Feyoa sellowiana)
[Uses]

Isopropyl benzoate is used as an insecticide evaporation control agent.
[Definition]

ChEBI: Isopropyl benzoate is a benzoate ester.
[Preparation]

By heating benzoyl chloride and isopropyl alcohol
[Synthesis Reference(s)]

Tetrahedron Letters, 41, p. 1343, 2000 DOI: 10.1016/S0040-4039(99)02289-3
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

Isopropyl Benzoate(939-48-0)MS
Isopropyl Benzoate(939-48-0)1HNMR
Isopropyl Benzoate(939-48-0)13CNMR
Isopropyl Benzoate(939-48-0)IR1
Isopropyl Benzoate(939-48-0)IR2
Isopropyl Benzoate(939-48-0)Raman
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

Isopropyl Benzoate,>99.0%(GC)(939-48-0)
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