1,1-二甲基-3-苯基丙醇乙酸酯

Description

Dimethyl phenethyl carbinyl acetate is identified by CAS 103-07-1, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII 9YRG98MG30; InChIKey ZXFNOEJFYLQUSB-UHFFFAOYSA-N. Boiling Point: 243.00 to 244.00 °C. @ 760.00 mm Hg; Boiling Point: 244 °C; Density: 0.986-0.990 (15 °C).

Identification

CAS Registry Number	103-07-1
PubChem CID	7633
Molecular formula	C13H18O2
Molecular weight	206.13 g/mol
IUPAC name	(2-methyl-4-phenylbutan-2-yl) acetate
InChIKey	ZXFNOEJFYLQUSB-UHFFFAOYSA-N
UNII (FDA)	9YRG98MG30
FEMA number	2735
JECFA number	1460

Computed Descriptors

Molecular Weight	206.28
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	206.130679813
Monoisotopic Mass	206.130679813
Topological Polar Surface Area	26.3
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Boiling Point	243.00 to 244.00 °C. @ 760.00 mm Hg
Boiling Point	244 °C
Density	0.986-0.990 (15 °C)
Refractive Index	1.488-1.490

Physical description & handling notes

• Colourless liquid; Jasmine and hyacinth-like aroma with a slight rosey undertone
• Soluble in oils; Insoluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, 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	86.1% (235 / 273)

GHS Hazard Classification

GHS notification summary	86.1% (235 / 273)
Reported hazard statements	H317 (13.9%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Benzenepropanol, .alpha.,.alpha.-dimethyl-, 1-acetate: ACTIVE

Synonyms

2-Methyl-4-phenyl-2-butyl acetate; RefChem:475593; 103-07-1; 1,1-Dimethyl-3-phenylpropyl acetate; Dmpec acetate; Dimethylphenylethylcarbinyl acetate; Dimethyl phenethyl carbinyl acetate; 2-Methyl-4-phenyl-2-acetoxybutane; FEMA No. 2735; Dimethylphenethylcarbinyl acetate; (2-methyl-4-phenylbutan-2-yl) acetate; Phenylethyl dimethyl carbinyl acetate; 2-methyl-4-phenylbutan-2-yl acetate; 2-Methyl-4-phenyl-2-butanyl acetate; alpha,alpha-Dimethylbenzenepropyl acetate; 2-Butanol, 2-methyl-4-phenyl-, acetate

Frequently Asked Questions

What are the CAS number and molecular formula of Dimethyl phenethyl carbinyl acetate?

CAS 103-07-1; molecular formula C13H18O2; molecular weight 206.13 g/mol.

What other names is Dimethyl phenethyl carbinyl acetate known by?

2-Methyl-4-phenyl-2-butyl acetate, RefChem:475593, 103-07-1, 1,1-Dimethyl-3-phenylpropyl acetate, Dmpec acetate, Dimethylphenylethylcarbinyl acetate.

What is the regulatory status of Dimethyl phenethyl carbinyl acetate?

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

Is Dimethyl phenethyl carbinyl acetate classified as hazardous?

86.1% of GHS notifications report no hazard classification (235 of 273).

What are the key physical properties of Dimethyl phenethyl carbinyl acetate?

Boiling Point: 243.00 to 244.00 °C. @ 760.00 mm Hg; Boiling Point: 244 °C; Density: 0.986-0.990 (15 °C); Refractive Index: 1.488-1.490.

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.