o-Cresyl acetate

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  • Identifiers

    CAS number
    533-18-6

    Molecular formula
    C9H10O2

    SMILES
    CC1=CC=CC=C1OC(=O)C

    Retention indicies (RI)

    • DB5: 1134.0

  • Odor profile

    Floral 73.23%
    Fruity 71.28%
    Sweet 66.47%
    Phenolic 59.13%
    Cherry 42.82%
    Animal 40.15%
    Medicinal 38.03%
    Powdery 37.54%
    Aromatic 36.32%
    Herbal 36.18%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 208.00 °C. @ 760.00 mm Hg

    Flash point est.
    91.45 ˚C

    Solubility expt.

    • insoluble in water
    • miscible (in ethanol)

  • Synonyms

    • o-Tolyl acetate
    • 533-18-6
    • o-Cresyl acetate
    • 2-Methylphenyl acetate
    • o-Cresol acetate
    • Acetyl-o-cresol
    • 2-Acetoxytoluene
    • (2-methylphenyl) acetate
    • Tolyl acetate
    • Acetic acid 2-methylphenyl ester
    • ACETIC ACID, 2-METHYLPHENYL ESTER
    • Acetic acid, o-tolyl ester
    • o-Cresylic acetate
    • Acetic Acid o-Tolyl Ester
    • o-Acetoxytoluene
    • Acetoxytoluene, o-
    • Cresylic acetate, o-
    • o-Methylphenyl acetate
    • FEMA No. 3072
    • Methylphenyl acetate, o-
    • 4-Cresyl acetate
    • NSC 58961
    • Acetic acid, methylphenyl ester
    • 1333-46-6
    • O-CRESOLACETATE
    • 606K99GR0L
    • EINECS 208-556-8
    • MFCD00053704
    • NSC-58961
    • CRESOL ACETATE, O-
    • AI3-04168
    • O-CRESYL ACETATE [MI]
    • 59WKY88A8Q
    • O-TOLYL ACETATE [FHFI]
    • DTXSID7060201
    • Acetic acid, o-tolyl ester (8CI)
    • 2-Methylphenyl ester of acetic acid
    • UNII-606K99GR0L
    • methylphenyl acetate
    • Cresyl acetate, o-
    • Acetic acid, tolyl ester
    • Acetic Acid o-Cresyl Ester
    • UNII-59WKY88A8Q
    • SCHEMBL172737
    • DTXCID6041391
    • NSC6257
    • CHEBI:179656
    • DTXSID301055194
    • 2-Methylphenyl acetate, AldrichCPR
    • NSC-6257
    • NSC58961
    • EINECS 215-591-2
    • AKOS002952470
    • CRESYL ACETATE (MIXED ISOMERS)
    • FT00212
    • PS-17785
    • SY052277
    • A0669
    • CS-0152947
    • NS00012123
    • Q27263176
    • Acetic Acid (2-Methylphenyl) Ester;(2-Methylphenyl) Ethanoate
    • 208-556-8
    • 215-591-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 647.39
    methanol 801.67
    isopropanol 556.58
    water 5.6
    ethyl acetate 566.36
    n-propanol 491.57
    acetone 902.02
    n-butanol 425.28
    acetonitrile 711.81
    DMF 1500.36
    toluene 285.05
    isobutanol 383.39
    1,4-dioxane 1014.13
    methyl acetate 751.82
    THF 910.3
    2-butanone 702.01
    n-pentanol 295.45
    sec-butanol 477.72
    n-hexane 90.32
    ethylene glycol 263.78
    NMP 846.09
    cyclohexane 102.03
    DMSO 1170.47
    n-butyl acetate 349.99
    n-octanol 280.31
    chloroform 1356.04
    n-propyl acetate 317.69
    acetic acid 360.36
    dichloromethane 1549.2
    cyclohexanone 675.76
    propylene glycol 254.26
    isopropyl acetate 278.32
    DMAc 1232.28
    2-ethoxyethanol 437.48
    isopentanol 303.51
    n-heptane 73.6
    ethyl formate 516.94
    1,2-dichloroethane 824.52
    n-hexanol 378.44
    2-methoxyethanol 763.35
    isobutyl acetate 187.53
    tetrachloromethane 187.23
    n-pentyl acetate 232.13
    transcutol 625.5
    n-heptanol 200.24
    ethylbenzene 239.09
    MIBK 283.31
    2-propoxyethanol 525.18
    tert-butanol 604.05
    MTBE 479.21
    2-butoxyethanol 278.57
    propionic acid 413.74
    o-xylene 251.0
    formic acid 140.61
    diethyl ether 527.71
    m-xylene 235.55
    p-xylene 296.11
    chlorobenzene 365.48
    dimethyl carbonate 316.81
    n-octane 45.9
    formamide 273.35
    cyclopentanone 795.32
    2-pentanone 500.26
    anisole 469.32
    cyclopentyl methyl ether 421.29
    gamma-butyrolactone 793.48
    1-methoxy-2-propanol 549.55
    pyridine 517.71
    3-pentanone 454.96
    furfural 686.63
    n-dodecane 51.64
    diethylene glycol 440.63
    diisopropyl ether 147.26
    tert-amyl alcohol 493.75
    acetylacetone 544.84
    n-hexadecane 56.81
    acetophenone 377.46
    methyl propionate 556.57
    isopentyl acetate 265.68
    trichloroethylene 1209.08
    n-nonanol 234.23
    cyclohexanol 353.97
    benzyl alcohol 287.53
    2-ethylhexanol 233.16
    isooctanol 159.25
    dipropyl ether 291.95
    1,2-dichlorobenzene 360.67
    ethyl lactate 206.33
    propylene carbonate 477.9
    n-methylformamide 641.72
    2-pentanol 290.02
    n-pentane 81.11
    1-propoxy-2-propanol 355.61
    1-methoxy-2-propyl acetate 337.43
    2-(2-methoxypropoxy) propanol 308.16
    mesitylene 153.93
    ε-caprolactone 547.44
    p-cymene 139.98
    epichlorohydrin 925.98
    1,1,1-trichloroethane 657.95
    2-aminoethanol 339.6
    morpholine-4-carbaldehyde 871.12
    sulfolane 896.27
    2,2,4-trimethylpentane 47.98
    2-methyltetrahydrofuran 619.88
    n-hexyl acetate 392.53
    isooctane 34.53
    2-(2-butoxyethoxy)ethanol 369.76
    sec-butyl acetate 202.89
    tert-butyl acetate 278.45
    decalin 73.58
    glycerin 285.44
    diglyme 638.46
    acrylic acid 339.14
    isopropyl myristate 182.99
    n-butyric acid 392.57
    acetyl acetate 314.95
    di(2-ethylhexyl) phthalate 151.46
    ethyl propionate 350.7
    nitromethane 788.96
    1,2-diethoxyethane 364.46
    benzonitrile 393.81
    trioctyl phosphate 128.56
    1-bromopropane 562.73
    gamma-valerolactone 813.87
    n-decanol 188.54
    triethyl phosphate 164.13
    4-methyl-2-pentanol 159.59
    propionitrile 521.61
    vinylene carbonate 502.64
    1,1,2-trichlorotrifluoroethane 465.59
    DMS 355.13
    cumene 172.97
    2-octanol 183.32
    2-hexanone 356.65
    octyl acetate 238.02
    limonene 190.54
    1,2-dimethoxyethane 838.58
    ethyl orthosilicate 147.09
    tributyl phosphate 148.11
    diacetone alcohol 338.82
    N,N-dimethylaniline 320.6
    acrylonitrile 618.72
    aniline 287.29
    1,3-propanediol 394.65
    bromobenzene 386.19
    dibromomethane 992.48
    1,1,2,2-tetrachloroethane 903.78
    2-methyl-cyclohexyl acetate 225.13
    tetrabutyl urea 211.69
    diisobutyl methanol 134.42
    2-phenylethanol 289.86
    styrene 284.29
    dioctyl adipate 234.89
    dimethyl sulfate 466.61
    ethyl butyrate 312.61
    methyl lactate 276.14
    butyl lactate 189.16
    diethyl carbonate 247.52
    propanediol butyl ether 273.41
    triethyl orthoformate 189.81
    p-tert-butyltoluene 134.8
    methyl 4-tert-butylbenzoate 316.7
    morpholine 832.29
    tert-butylamine 371.05
    n-dodecanol 154.68
    dimethoxymethane 791.06
    ethylene carbonate 429.24
    cyrene 275.97
    2-ethoxyethyl acetate 302.13
    2-ethylhexyl acetate 218.25
    1,2,4-trichlorobenzene 371.68
    4-methylpyridine 574.58
    dibutyl ether 277.11
    2,6-dimethyl-4-heptanol 134.42
    DEF 653.01
    dimethyl isosorbide 446.73
    tetrachloroethylene 537.09
    eugenol 299.99
    triacetin 333.8
    span 80 248.97
    1,4-butanediol 215.14
    1,1-dichloroethane 863.02
    2-methyl-1-pentanol 257.7
    methyl formate 615.51
    2-methyl-1-butanol 333.96
    n-decane 73.06
    butyronitrile 484.86
    3,7-dimethyl-1-octanol 225.45
    1-chlorooctane 220.71
    1-chlorotetradecane 106.67
    n-nonane 73.19
    undecane 59.94
    tert-butylcyclohexane 73.57
    cyclooctane 40.62
    cyclopentanol 400.66
    tetrahydropyran 640.52
    tert-amyl methyl ether 378.38
    2,5,8-trioxanonane 495.04
    1-hexene 257.25
    2-isopropoxyethanol 307.51
    2,2,2-trifluoroethanol 168.62
    methyl butyrate 448.81

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Oenothera odorata flower concrete (China) Oenothera odorata Jacq., fam. Onagraceae 0.22%