乙酸芳樟酯

Description

Linalyl Acetate · CAS 115-95-7 · C12H20O2. UNII 5K47SSQ51G. Boiling Point: 221 °C; Boiling Point: 220.00 °C. @ 760.00 mm Hg; Boiling Point: 220 °C.

Identification

CAS Registry Number	115-95-7
PubChem CID	8294
Molecular formula	C12H20O2
IUPAC name	3,7-dimethylocta-1,6-dien-3-yl acetate
UNII (FDA)	5K47SSQ51G
FEMA number	2636
JECFA number	359

Computed Descriptors

Molecular Weight	196.29
XLogP3	3.3
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	221 °C
Boiling Point	220.00 °C. @ 760.00 mm Hg
Boiling Point	220 °C
Melting Point	< 25 °C
Flash Point	94 °C (201 °F) - closed cup
Flash Point	185 °F (85 °C) (closed cup)
Flash Point	85 °C c.c.
Density	0.895 g/cu cm at 20 °C
Density	0.895-0.914
Vapor Pressure	0.11 [mmHg]

Physical description & handling notes

• CBI; Dry Powder; Liquid; Liquid; Liquid; Other Solid
• Clear colorless liquid with an odor of bergamot; [Hawley]
• Solid
• COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
• colourless liquid with a floral, fruity odour
• Clear, colorless, oily liquid

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit JECFA ADI: 0-0.5 mg/kg bw (1979)
GHS notification summary	13.5% (316 / 2347)

GHS Hazard Classification

GHS notification summary	13.5% (316 / 2347)
Reported hazard statements	H315 (85.5%), H317 (12.2%), H319 (85.3%), H227, H336, H401, H335

Documented Uses

• Present in bergamot, lavender, and other volatile oils; [Merck Index] Used in perfumes, soaps, cleaning products, cosmetics, oil paints, and flavoring extracts; [HSDB]
• Painting (Solvents) [Category: Paint]
• Extracts, perfumery, flavoring agent, substitute for petitgrain oil.
• /In perfumery/ it is widely used as a fresh and sweet blender.
• It is an excellent fragrance material for, among others, bergamot, lilac, lavender, linden, neroli, ylang-ylang, and phantasy notes (particularly chypre). Smaller amounts are used in other citrus products. Since linalyl acetate is fairly stable toward alkali, it can also be employed in soaps and detergents.
• Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994)

Synonyms

LINALYL ACETATE; 115-95-7; Linalool acetate; Bergamiol; Bergamol; 3,7-dimethylocta-1,6-dien-3-yl acetate; Lynalyl acetate; Linalol acetate; Licareol acetate; Acetic acid linalool ester; 3,7-Dimethyl-1,6-octadien-3-ol acetate; 3,7-Dimethyl-1,6-octadien-3-yl acetate; 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate; 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate; FEMA No. 2636; DTXSID7026946

Frequently Asked Questions

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

CAS 115-95-7; molecular formula C12H20O2; molecular weight — g/mol.

What other names is Linalyl Acetate known by?

LINALYL ACETATE, 115-95-7, Linalool acetate, Bergamiol, Bergamol, 3,7-dimethylocta-1,6-dien-3-yl acetate.

What is the regulatory status of Linalyl Acetate?

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

Is Linalyl Acetate classified as hazardous?

13.5% of GHS notifications report no hazard classification (316 of 2347).

What are the key physical properties of Linalyl Acetate?

Boiling Point: 221 °C; Boiling Point: 220.00 °C. @ 760.00 mm Hg; Boiling Point: 220 °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.