乙酸香叶酯

Description

Geranyl Acetate · CAS 105-87-3 · C12H20O2. UNII 3W81YG7P9R. Boiling Point: 468 °F at 760 mmHg (NTP, 1992); Boiling Point: 240.00 to 245.00 °C. @ 760.00 mm Hg; Boiling Point: 240-245 °C.

Identification

CAS Registry Number	105-87-3
PubChem CID	1549026
Molecular formula	C12H20O2
IUPAC name	[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
UNII (FDA)	3W81YG7P9R
FEMA number	2509
JECFA number	58

Computed Descriptors

Molecular Weight	196.29
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	196.146329876
Monoisotopic Mass	196.146329876
Topological Polar Surface Area	26.3
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	468 °F at 760 mmHg (NTP, 1992)
Boiling Point	240.00 to 245.00 °C. @ 760.00 mm Hg
Boiling Point	240-245 °C
Melting Point	< 25 °C
Flash Point	>212 °F (>100 °C) closed cup
Density	0.9174 at 15 °C/15 °C
Density	0.900-0.914
Vapor Pressure	0.03 [mmHg]
LogP	log Kow = 4.04
LogP	4.04

Physical description & handling notes

• Geranyl acetate is a clear colorless liquid with an odor of lavender. (NTP, 1992)
• Liquid; CBI
• Clear colorless liquid with a sweet odor like lavender; [HSDB]
• Solid
• colourless liquid with a floral odour
• Clear, colorless liquid

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Lavender, Rose JECFA ADI: 0-0.5 mg/kg bw (1979)

GHS Hazard Classification

Reported hazard statements	H315 (79.8%), H317 (77.6%), H411 (20.5%), H412 (77.2%)

Documented Uses

• Occurs in several essential oils; Used in perfumes and flavors; [Hawley]
• Used as a synthetic flavoring substance and adjuvant.
• Used frequently in perfumery to create not only flowery-fruity nuances (example, rose), but also for citrus and lavender notes. A small amount is added to fruit aromas for shading.
• Widely used in perfume compositions as a sweetener and modifier in floral, fruit, herbaceous and Citrusy fragrance types. Used in flavor composition for a great variation of types: apricot, apple, banana, blackcurrant, gooseberry, ginger ale, grape, honey, lemon, peach, pear, lime, wine, and in various spice complexes, berry variations, and floral flavor types.
• Reported uses: Alcoholic and nonalcoholic beverages; baked goods, chewing gum, frozen dairy, gelatin (pudding), gravies, hard and soft candy, meat products.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Synonyms

GERANYL ACETATE; 105-87-3; Geranyl ethanoate; Geranyl acetate A; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; Acetic acid, geraniol ester; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; trans-Geraniol acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate; NCI-C54728; trans-geranyl acetate; (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate; FEMA No. 2509; DTXSID0020654; FEMA Number 2509

Frequently Asked Questions

What are the CAS number and molecular formula of Geranyl Acetate?

CAS 105-87-3; molecular formula C12H20O2; molecular weight — g/mol.

What other names is Geranyl Acetate known by?

GERANYL ACETATE, 105-87-3, Geranyl ethanoate, Geranyl acetate A, [(2E)-3,7-dimethylocta-2,6-dienyl] acetate, Acetic acid, geraniol ester.

What is the regulatory status of Geranyl Acetate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Geranyl Acetate classified as hazardous?

Hazard statements reported: H315, H317, H411, H412.

What are the key physical properties of Geranyl Acetate?

Boiling Point: 468 °F at 760 mmHg (NTP, 1992); Boiling Point: 240.00 to 245.00 °C. @ 760.00 mm Hg; Boiling Point: 240-245 °C; Melting Point: < 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.