Benzeneethanol, alpha-methyl-, 1-acetate (HCID 16457)

Namen und Bezeichner

Bevorzugter Name: Benzeneethanol, alpha-methyl-, 1-acetate
IUPAC: 1-phenylpropan-2-yl acetate
Lokaler Name: α-Methylphenethylacetat
Englischer Name: 1-METHYL-2-PHENYLETHYL ACETATE
Summenformel: C11H14O2
Molmasse: 178.23

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Siedepunkt: 270.46 °C · 270.46°C (rough estimate)
Dichte: 1.0292 · 1.0292 (rough estimate)
Brechungsindex: 1.509 · 1.5090 (estimate)
Löslichkeit: Almost insoluble in water, soluble in alcohol and oils.
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Geruch (Odor): Fresh-floral, slightly green and fruity odor with a Hyacinth-like note
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
LogP: 2.652 · 2.652 (est)
EPA chemische Informationen: Benzeneethanol, .alpha.-methyl-, acetate (2114-33-2)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information · 2 Einträge

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

Regulatorische Informationen

Regulatory Information · 2 Einträge

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.

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2916399090
RTECS-Nr.: AI9316000
Toxizität: skn-rbt 500 mg/24H MLD FCTOD7 20,737,82

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

Verwenden1-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.