Geranyl acetate

CAS Number: 105-87-3
Molecular Formula: C12H20O2

About Geranyl acetate

Geranyl acetate CAS 105-87-3 is a fundamental monoterpene ester widely utilized in the flavor and fragrance industry for its distinct floral and fruity profile, with our high purity fine chemicals reaching a 98% purity standard for fragrance applications. 3,7-Dimethyl-2,6-octadien-1-yl acetate serves as a critical comp...

Synonyms

geraniol acetate
geraniol acetate, (E)-isomer
geraniol acetate, (Z)-isomer
geranyl acetate
nerol acetate

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Geranyl acetate Specifications

CAS Number

105-87-3

Molecular Formula

C12H20O2

Molecular Weight

196.29 g/mol

IUPAC Name

[(2E)-3,7-dimethylocta-2,6-dienyl] acetate

Canonical SMILES

CC(=CCCC(=CCOC(=O)C)C)C

InChI Key

HIGQPQRQIQDZMP-DHZHZOJOSA-N

InChI

InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+

CAS Number

105-87-3

Molecular Formula

C12H20O2

Molecular Weight

196.29 g/mol

IUPAC Name

[(2E)-3,7-dimethylocta-2,6-dienyl] acetate

Canonical SMILES

CC(=CCCC(=CCOC(=O)C)C)C

InChI Key

HIGQPQRQIQDZMP-DHZHZOJOSA-N

InChI

InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+

melting_point

< 25 °C

boiling_point

468 °F at 760 mmHg (NTP, 1992)

solubility

less than 1 mg/mL at 68 °F (NTP, 1992)

density

0.907 at 77 °F (NTP, 1992) - Less dense than water; will float

logP

log Kow = 4.04

Molecular Weight

196.29 g/mol

Fragrance Ingredient

A versatile monoterpenoid ester widely used as a middle note in fine perfumery, personal care products, and household cleaners to provide fresh, rosy-floral, and fruity-green nuances

Flavoring Agent

A GRAS-approved additive used in the food and beverage industry to enhance citrus, berry, and tropical fruit profiles

Pharmaceutical and Aromatherapy Intermediate

A bioactive compound utilized in aromatherapy for its calming effects and studied in preclinical research for its potential antimicrobial, anti-inflammatory, and anticancer properties

Chemical Synthesis Building Block

A functionalized ester employed in the reconstitution of essential oils and as a starting material in organic synthesis for developing complex aromatic molecules.