W239402

α,α-Dimethylphenethyl butyrate

≥95%, FCC, FG

• Synonym(s): (1-cyclohexyl-2-methylpropan-2-yl) butanoate, Benzyl dimethyl carbinol butyrate, Benzyl dimethyl carbinyl butyrate, Dimethyl benzyl carbinyl butyrate, dmbc butyrate
• Linear Formula: CH₃CH₂CH₂CO₂C(CH₃)₂CH₂C₆H₅
• CAS Number: 10094-34-5
• Molecular Weight: 220.31
• FEMA Number: 2394
• EC Number: 233-221-8
• Council of Europe no.: 2084
• MDL number: MFCD00027132
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901043
• Flavis number: 9.232
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Halal; Kosher
• Agency: meets requirements for JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117; FDA 21 CFR 172.515
• Assay: ≥95%
• refractive index: n20/D 1.4839 (lit.)
• bp: 237-255 °C (lit.)
• density: 0.969 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: green; fruity; floral; herbaceous
• SMILES string: CCCC(=O)OC(C)(C)Cc1ccccc1
• InChI: 1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
• InChI key: SHSGYHAHMQLYRB-UHFFFAOYSA-N

Description

General description

α,α-Dimethylphenethyl butyrate belongs to the fragrance structural group aryl alkyl alcohol simple acid esters (AAASAE). The compound has a mild, herbaceous odor. It is a fragrance ingredient used in various non-cosmetic products, such as detergents, household cleansers, and shampoos. It is also found in decorative cosmetics, toiletries, and shampoos.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H412
• Precautionary Statements: P264 - P273 - P280 - P302 + P352 - P332 + P313 - P362 + P364
• Hazard Classifications: Aquatic Chronic 3 - Skin Irrit. 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 242.6 °F - closed cup
• Flash Point(C): 117 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves