乙酸二甲基苄基原酯

Description

Benzyl dimethyl carbinyl acetate is identified by CAS 151-05-3, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII 6Y9488RL8H; ChEBI 179909; InChIKey FLUWAIIVLCVEKF-UHFFFAOYSA-N. Boiling Point: 249-251 °C; Melting Point: 30 °C; Density: 0.995-1.002.

Identification

CAS Registry Number	151-05-3
PubChem CID	9024
Molecular formula	C12H16O2
Molecular weight	192.12 g/mol
IUPAC name	(2-methyl-1-phenylpropan-2-yl) acetate
InChIKey	FLUWAIIVLCVEKF-UHFFFAOYSA-N
UNII (FDA)	6Y9488RL8H
ChEBI ID	CHEBI:179909
FEMA number	2392
JECFA number	1655

Computed Descriptors

Molecular Weight	192.25
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	26.3
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	249-251 °C
Melting Point	30 °C
Density	0.995-1.002
Refractive Index	1.490-1.495

Physical description & handling notes

• Dry Powder; Large Crystals; CBI; Liquid
• Solid
• White to colourless liquid or crystals at room temperature; Powerful floral, fruity aroma
• Soluble in mineral oil, most fixed oils and propylene glycol; insoluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	68.4% (1348 / 1971)

GHS Hazard Classification

GHS notification summary	68.4% (1348 / 1971)
Reported hazard statements	H412 (29.4%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Processing aids not otherwise specified
• Cosmetics product ingredient: 2-Methyl-1-phenyl-2-propyl acetate; Dimethylbenzyl Carbinyl Acetate (Dimethyl Phenethyl Acetate)
• Dimethyl phenethyl acetate is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223/2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts
• For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:

Synonyms

151-05-3; Dimethylbenzylcarbinyl acetate; Dimethyl benzyl carbinyl acetate; 1,1-Dimethyl-2-phenylethyl acetate; Benzyldimethylcarbinyl acetate; Benzyldimethylcarbinol acetate; Dimethylbenzylcarbinol acetate; alpha,alpha-Dimethylphenethyl acetate; Benzyl dimethyl carbinyl acetate; 2-Benzyl-2-propyl acetate; Dimethylbenzyl carbinol acetate; FEMA No. 2392; alpha,alpha-Dimethylbenzeneethyl acetate; DTXSID3041877; Benzeneethanol, alpha,alpha-dimethyl-, 1-acetate; EINECS 205-781-3

Frequently Asked Questions

What are the CAS number and molecular formula of Benzyl dimethyl carbinyl acetate?

CAS 151-05-3; molecular formula C12H16O2; molecular weight 192.12 g/mol.

What other names is Benzyl dimethyl carbinyl acetate known by?

151-05-3, Dimethylbenzylcarbinyl acetate, Dimethyl benzyl carbinyl acetate, 1,1-Dimethyl-2-phenylethyl acetate, Benzyldimethylcarbinyl acetate, Benzyldimethylcarbinol acetate.

What is the regulatory status of Benzyl dimethyl carbinyl acetate?

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

Is Benzyl dimethyl carbinyl acetate classified as hazardous?

68.4% of GHS notifications report no hazard classification (1348 of 1971).

What are the key physical properties of Benzyl dimethyl carbinyl acetate?

Boiling Point: 249-251 °C; Melting Point: 30 °C; Density: 0.995-1.002; Refractive Index: 1.490-1.495.

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.