ChemicalBook--->CAS DataBase List--->1191-16-8

1191-16-8

1191-16-8 Structure

1191-16-8 Structure
IdentificationMore
[Name]

Prenyl acetate
[CAS]

1191-16-8
[Synonyms]

2-BUTEN-1-OL, 3-METHYL:ACETATE
3,3-DIMETHYLALLYL ACETATE
3-METHYL-2-BUTEN-1-OL ACETATE
3-METHYL-2-BUTEN-1-YL ACETATE
3-METHYL-2-BUTENYL ACETATE
ACETIC ACID 3-METHYL-2-BUTENYL ESTER
ACETIC ACID PRENYL ESTER
ISOPENT-2-ENYL ACETATE
PRENYL ACETATE
VERTENOL-ACETATE
3-methyl, but-2-enyl acetate
3-methyl-2-buten-1-oacetate
3-methyl-2-butenyl
3-methyl-but-2-en-1-yl acetate
Dimethylallyl acetate
dimethylallylacetate
gamma,gamma-Dimethylallyl acetate
gamma,gamma-dimethylallylacetate
PRENYL ACETATE 98+%
3-Methyl-2-butenylacetat
[EINECS(EC#)]

214-730-4
[Molecular Formula]

C7H12O2
[MDL Number]

MFCD00036569
[Molecular Weight]

128.17
[MOL File]

1191-16-8.mol
Chemical PropertiesBack Directory
[Melting point ]

-62.68°C (estimate)
[Boiling point ]

151-152 °C752 mm Hg(lit.)
[density ]

0.917 g/mL at 25 °C(lit.)
[vapor pressure ]

2.6hPa at 20℃
[FEMA ]

4202
[refractive index ]

n20/D 1.43(lit.)
[Fp ]

121 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

H2O: insoluble
[form ]

neat
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.917
[Odor]

at 1.00 % in propylene glycol. sweet fresh banana fruity jasmin ripe heliotrope balsam
[biological source]

synthetic
[Odor Type]

fruity
[Water Solubility ]

4.3g/L at 20℃
[JECFA Number]

1827
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
[InChIKey]

XXIKYCPRDXIMQM-UHFFFAOYSA-N
[SMILES]

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

2 at 23℃
[CAS DataBase Reference]

1191-16-8(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Buten-1-ol, 3-methyl-, acetate(1191-16-8)
[EPA Substance Registry System]

1191-16-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H303-H226
[Precautionary statements ]

P241-P280a-P501a-P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

2
[RTECS ]

EM9473700
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29153900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
[Safety Profile]

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

Colorless liquid; natural green apple, banana aroma.
[Chemical Properties]

Colorless to pale yellow liquid
[Occurrence]

Reported found in ylang ylang oil (0.33%), ylang ylang oil I, Cananga odorata Hook.f. and Thomas. (0.89%), ylang ylang oil II, Cananga odorata Hook. f. and Thomas. (0.08%), ylang ylang oil III (0.02%)
[Uses]

Prenyl Acetate is a volatile constituent found in blue-colored hybrid tea rose flowers.
[Definition]

ChEBI:Isopentenyl acetate is a carboxylic ester.
[Aroma threshold values]

Medium strength odor, fruity type; recommend smelling in a 1% solution or less.
[Taste threshold values]

Sweet banana, fruity, ripe, floral, green at 30 ppm in water.
[Synthesis Reference(s)]

Synthetic Communications, 25, p. 2253, 1995 DOI: 10.1080/00397919508011780
Tetrahedron Letters, 25, p. 541, 1984 DOI: 10.1016/S0040-4039(00)99932-5
[Flammability and Explosibility]

Flammable
Spectrum DetailBack Directory
[Spectrum Detail]

Prenyl acetate(1191-16-8)MS
Prenyl acetate(1191-16-8)1HNMR
Prenyl acetate(1191-16-8)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,3-Dimethylallyl acetate, 98%, stab. with 0.1% alpha tocopherol(1191-16-8)
[Sigma Aldrich]

1191-16-8(sigmaaldrich)
[TCI AMERICA]

3-Methyl-2-butenyl Acetate,>98.0%(GC)(1191-16-8)
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