CAS 2114-33-2 Benzeneethanol, alpha-methyl-, 1-acetate (HCID 16457)

Names & identifiers

Preferred name: Benzeneethanol, alpha-methyl-, 1-acetate
IUPAC: 1-phenylpropan-2-yl acetate
English name: 1-METHYL-2-PHENYLETHYL ACETATE
Molecular formula: C11H14O2
Molecular weight: 178.23

Names & synonyms

2114-33-21-Phenyl-2-propanol acetateMethylbenzylcarbinyl acetateBenzeneethanol, alpha-methyl-, 1-acetateBenzylmethylcarbinyl acetateEINECS 218-314-3alpha-Methyl-beta-phenylethyl acetateNSC 30160Phenethyl alcohol, alpha-methyl-, acetateAI3-35576DTXSID30862835ACETIC ACID, alpha-METHYL-PHENETHYL ESTER

Show more names

α-methylphenethylacetate1-phenyl-2-propanolacetatemethylbenzylcarbinylacetatebenzylmethylcarbinylacetatealpha-Methylphenethylacetatalpha-methylphenethylacetate1-phenylpropan-2-yl ethanoate1-Mthyl-2-phenylethyl Acetate

Benzeneethanol, .alpha.-methyl-, 1-acetateRefChem:117596DTXCID008115521-phenylpropan-2-yl acetate1-methyl-2-phenylethyl acetate2-Acetoxy-1-phenylpropaneMFCD01672540NSC-30160

Database identifiers

CAS: 2114-33-2
PubChem CID: 16457
DTXSID: DTXSID30862835
UNII: X6UW5YA3X6
EC Number: 218-314-3
Nikkaji: J71.021K

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 270.46 °C · 270.46°C (rough estimate)
Density: 1.0292 · 1.0292 (rough estimate)
refractive index: 1.509 · 1.5090 (estimate)
solubility: Almost insoluble in water, soluble in alcohol and oils.
form: clear liquid
color: Colorless to Almost colorless
Odor: Fresh-floral, slightly green and fruity odor with a Hyacinth-like note
Cosmetics Ingredients Functions: PERFUMING
LogP: 2.652 · 2.652 (est)
EPA Substance Registry System: Benzeneethanol, .alpha.-methyl-, acetate (2114-33-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
RTECS: 9316000 · AI9316000
TSCA: TSCA listed
HS Code: 2916399090 · 2916399090
Toxicity: 500 mg/24H · skn-rbt 500 mg/24H MLD FCTOD7 20,737,82

Safety & regulation

Hazard information

Regulatory Information · 2 items

Chemical: Benzeneethanol, .alpha.-methyl-, acetate

Benzeneethanol, .alpha.-methyl-, acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Benzeneethanol, .alpha.-methyl-, acetate: Human health tier I assessment；IMAP assessments - Benzeneethanol, .alpha.-methyl-, acetate: Environment tier I assessment

Regulatory information

Regulatory Information · 2 items

Chemical: Benzeneethanol, .alpha.-methyl-, acetate

Benzeneethanol, .alpha.-methyl-, acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

tsca: TSCA listed
rtecs: AI9316000
hs_code: 2916399090
Toxicity: skn-rbt 500 mg/24H MLD FCTOD7 20,737,82
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneethanol, .alpha.-methyl-, 1-acetate: INACTIVE

Applications · 1 item

Uses1-Methyl-2-phenylethyl Acetate could be used as a modifier in many floral or Oriental fragrance types, in Fougeres, etc. It is stable in soap and it is actually extremely versatile in its use, from distinctly floral to strictly herbaceous or green.