ChemicalBook--->CAS DataBase List--->5205-11-8

5205-11-8

5205-11-8 Structure

5205-11-8 Structure
IdentificationBack Directory
[Name]

BENZOIC ACID 3-METHYL-2-BUTENYL ESTER
[CAS]

5205-11-8
[Synonyms]

PROFLORA
PRENYL BENZOATE
BENZOIC ACID PRENYL ESTER
3-Methyl-2-butenylbenzoat
3-Methylbut-2-enylbenzoate
3-METHYL-2-BUTENYL BENZOATE
3-methyl-2-buten-1-obenzoate
benzoicacidmethylbutenylester
2-Buten-1-ol,3-methyl-,benzoate
BENZOIC ACID 3-METHYL-2-BUTENYL ESTER
benzoic acid 3-methylbut-2-enyl ester
Benzoic Acid 3-Methyl-2-butenyl Ester Benzoic Acid Prenyl Ester Prenyl Benzoate
[EINECS(EC#)]

225-998-7
[Molecular Formula]

C12H14O2
[MDL Number]

MFCD00036570
[MOL File]

5205-11-8.mol
[Molecular Weight]

190.24
Chemical PropertiesBack Directory
[Boiling point ]

107 °C / 2.3mmHg
[density ]

1.03
[FEMA ]

4203 | PRENYL BENZOATE
[refractive index ]

1.5190-1.5210
[Fp ]

134 °C
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[Specific Gravity]

1.020
[Odor]

at 100.00 %. balsam fruity chocolate ylang tea
[Odor Type]

balsamic
[JECFA Number]

2063
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
[InChIKey]

INVWRXWYYVMFQC-UHFFFAOYSA-N
[SMILES]

C\C(C)=C\COC(=O)c1ccccc1
[LogP]

4.10
[EPA Substance Registry System]

2-Buten-1-ol, 3-methyl-, benzoate (5205-11-8)
Safety DataBack Directory
[Hazard Codes ]

N
[Risk Statements ]

50
[Safety Statements ]

61
[WGK Germany ]

WGK 2
[RTECS ]

EM9473900
[TSCA ]

TSCA listed
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
[Safety Profile]

Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard InformationBack Directory
[Chemical Properties]

Colorless clear liquid; balsam, fruity, chocolate, ylang aroma.
[Occurrence]

Reported used in Cascarilla bark oil (0.03%), ylang ylang oil I, Cananga odorata Hook. f. and Thomas. (0.11%), ylang ylang oil II, Cananga odorata Hook. f. and Thomas. (0.25%), ylang ylang oil III (0.27%).
[Uses]

flavors and fragrances
[Definition]

ChEBI: Prenyl benzoate is a benzoate ester.
[Aroma threshold values]

Medium strength odor, balsamic type.
Spectrum DetailBack Directory
[Spectrum Detail]

BENZOIC ACID 3-METHYL-2-BUTENYL ESTER(5205-11-8)MS
BENZOIC ACID 3-METHYL-2-BUTENYL ESTER(5205-11-8)1HNMR
BENZOIC ACID 3-METHYL-2-BUTENYL ESTER(5205-11-8)13CNMR
BENZOIC ACID 3-METHYL-2-BUTENYL ESTER(5205-11-8)IR1
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