Methyl phenylacetate

  • Identifiers

    CAS mumber
    101-41-7

    Molecular formula
    C9H10O2

    SMILES
    COC(=O)CC1=CC=CC=C1

    Retention indicies (RI)

    • DB5: 1176.5
    • Carbowax: 1747.5

  • Properties

    XLogP3-AA
    1.8 Well soluble in DEP, MMB, TEC

    Molecular weight
    150.17 g/mol

    Boiling points

    • 215 °C
    • 215.00 to 217.00 °C. @ 760.00 mm Hg

    Solubilities

    • Soluble in most organic solvents; 1:6 in 60% alcohol; insoluble in water, glycerin and propylene glycol.
    • Insoluble in water, glyceryl, propylene glycol; soluble in oils
    • 1 mL in 6 mL 60% ethanol (in ethanol)

  • Synonyms

    • METHYL PHENYLACETATE
    • 101-41-7
    • Methyl 2-phenylacetate
    • Benzeneacetic acid, methyl ester
    • Methyl benzeneacetate
    • Phenylacetic Acid Methyl Ester
    • Methyl alpha-toluate
    • Methyl phenylethanoate
    • Methyl benzeneethanoate
    • Phenylacetic acid, methyl ester
    • Acetic acid, phenyl-, methyl ester
    • FEMA No. 2733
    • EINECS 202-940-9
    • UNII-D4PDC41X96
    • NSC 401667
    • D4PDC41X96
    • DTXSID1044352
    • AI3-01971
    • NSC-9405
    • NSC-401667
    • Phenyl-acetic acid methyl ester
    • DTXCID9024352
    • HSDB 8384
    • EC 202-940-9
    • Methyl .alpha.-toluate
    • WLN: 1OV1R
    • Methyl 2-phenyl acetate
    • METHYLPHENYLACETATE
    • Mephaneine
    • methyl a-toluate
    • methy phenylacetate
    • methyl benzylformate
    • Methyl-2-phenylacetate
    • SCHEMBL4675
    • CHEMBL3189123
    • 2-Phenylacetic acid methyl ester
    • FEMA 2733
    • Methyl ester of Phenylacetic acid
    • NSC9405
    • CHEBI:167404
    • METHYL PHENYLACETATE [FCC]
    • METHYL PHENYLACETATE [FHFI]
    • alpha-phenylacetic acid methyl ester
    • Tox21_300792
    • BBL010506
    • MFCD00008453
    • NSC401667
    • STL146152
    • AKOS000119976
    • CS-W018528
    • FM14516
    • Methyl phenylacetate, analytical standard
    • NCGC00248170-01
    • NCGC00254696-01
    • CAS-101-41-7
    • HY-76063
    • Methyl phenylacetate, >=98%, FCC, FG
    • PD157967
    • PHENYLACETIC ACID METHYL ESTER [MI]
    • NS00001353
    • P0125
    • D77850
    • Methyl phenylacetate, ReagentPlus(R), >=99%
    • Q390681
    • Methyl phenylacetate, Vetec(TM) reagent grade, 98%
    • Flavor and Extract Manufacturers' Association No. 2733
    • InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H
    • 202-940-9
1 3

Botanical

Name CAS Botanical Proportion
Coronilla emerus headspace Coronilla emerus L., fam. Leguminosae 0.4%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Aerangis brachycarpa flower headspace Aerangis brachycarpa Rchb. f., fam. Orchidaceae 2.0%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 9.5%
Honeysuckle, japanese Lonicera japonica L., fam. Caprifoliaceae 0.2%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 1.47%
Tulip sylvestre (headspace) Tulipa sylvestris L., fam. Liliaceae 0.04%
Tulip sylvestre headspace cv. "Generaal de Wet" Tulipa sylvestris L. cultivar "Generaal de Wet", fam. Liliaceae 1.01%
Eschweilera coriacea flower Eschweilera coriacea (A.P.DC.) Mori, fam. Lecythidaceae 0.4%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.06%