(2-Methylphenyl)methyl butanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C12H16O2

    SMILES
    CCCC(=O)OCC1=CC=CC=C1C

  • Odor profile

    Fruity 95.2%
    Floral 81.6%
    Sweet 74.97%
    Berry 44.54%
    Tropical 43.68%
    Apricot 43.48%
    Plum 43.44%
    Rose 41.61%
    Cherry 40.22%
    Jasmin 39.94%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point est.
    113.08 ˚C

  • Synonyms

    • SCHEMBL3217586

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2088.63
    methanol 2926.48
    isopropanol 1164.26
    water 1.25
    ethyl acetate 2121.93
    n-propanol 1469.23
    acetone 2307.18
    n-butanol 1211.4
    acetonitrile 2979.43
    DMF 2276.76
    toluene 569.56
    isobutanol 965.51
    1,4-dioxane 3088.28
    methyl acetate 1555.98
    THF 1634.34
    2-butanone 1549.91
    n-pentanol 761.15
    sec-butanol 999.28
    n-hexane 111.21
    ethylene glycol 179.05
    NMP 1169.8
    cyclohexane 204.82
    DMSO 1704.7
    n-butyl acetate 1161.94
    n-octanol 220.99
    chloroform 4681.05
    n-propyl acetate 1025.07
    acetic acid 1687.98
    dichloromethane 4526.82
    cyclohexanone 1889.87
    propylene glycol 266.66
    isopropyl acetate 965.65
    DMAc 1529.71
    2-ethoxyethanol 994.31
    isopentanol 987.57
    n-heptane 35.71
    ethyl formate 956.8
    1,2-dichloroethane 3234.58
    n-hexanol 669.14
    2-methoxyethanol 1577.0
    isobutyl acetate 552.89
    tetrachloromethane 330.73
    n-pentyl acetate 435.56
    transcutol 3501.19
    n-heptanol 229.7
    ethylbenzene 351.77
    MIBK 613.29
    2-propoxyethanol 966.66
    tert-butanol 1354.01
    MTBE 1337.04
    2-butoxyethanol 446.69
    propionic acid 999.28
    o-xylene 320.25
    formic acid 468.79
    diethyl ether 2078.53
    m-xylene 341.39
    p-xylene 481.3
    chlorobenzene 1138.51
    dimethyl carbonate 394.88
    n-octane 18.34
    formamide 1062.85
    cyclopentanone 1620.7
    2-pentanone 1281.62
    anisole 842.53
    cyclopentyl methyl ether 826.59
    gamma-butyrolactone 1761.17
    1-methoxy-2-propanol 938.16
    pyridine 2217.75
    3-pentanone 911.33
    furfural 1434.56
    n-dodecane 19.37
    diethylene glycol 615.34
    diisopropyl ether 350.43
    tert-amyl alcohol 1002.44
    acetylacetone 1223.87
    n-hexadecane 22.78
    acetophenone 682.12
    methyl propionate 1085.4
    isopentyl acetate 880.73
    trichloroethylene 4959.21
    n-nonanol 202.15
    cyclohexanol 883.33
    benzyl alcohol 601.46
    2-ethylhexanol 350.88
    isooctanol 195.9
    dipropyl ether 445.23
    1,2-dichlorobenzene 951.52
    ethyl lactate 283.35
    propylene carbonate 989.48
    n-methylformamide 1177.61
    2-pentanol 663.68
    n-pentane 73.39
    1-propoxy-2-propanol 622.29
    1-methoxy-2-propyl acetate 772.02
    2-(2-methoxypropoxy) propanol 489.53
    mesitylene 201.29
    ε-caprolactone 1505.39
    p-cymene 147.79
    epichlorohydrin 2508.74
    1,1,1-trichloroethane 2020.06
    2-aminoethanol 533.21
    morpholine-4-carbaldehyde 1401.47
    sulfolane 1416.32
    2,2,4-trimethylpentane 47.56
    2-methyltetrahydrofuran 1420.35
    n-hexyl acetate 574.18
    isooctane 37.54
    2-(2-butoxyethoxy)ethanol 716.73
    sec-butyl acetate 612.94
    tert-butyl acetate 834.46
    decalin 90.4
    glycerin 342.25
    diglyme 1429.87
    acrylic acid 776.63
    isopropyl myristate 215.34
    n-butyric acid 1518.92
    acetyl acetate 990.33
    di(2-ethylhexyl) phthalate 193.52
    ethyl propionate 778.31
    nitromethane 2960.76
    1,2-diethoxyethane 1257.62
    benzonitrile 878.57
    trioctyl phosphate 129.92
    1-bromopropane 1403.32
    gamma-valerolactone 2025.88
    n-decanol 145.92
    triethyl phosphate 237.08
    4-methyl-2-pentanol 334.08
    propionitrile 1532.18
    vinylene carbonate 1011.81
    1,1,2-trichlorotrifluoroethane 1157.29
    DMS 572.06
    cumene 212.67
    2-octanol 159.32
    2-hexanone 908.23
    octyl acetate 269.72
    limonene 221.77
    1,2-dimethoxyethane 1995.7
    ethyl orthosilicate 229.16
    tributyl phosphate 202.38
    diacetone alcohol 704.41
    N,N-dimethylaniline 424.25
    acrylonitrile 1660.05
    aniline 809.48
    1,3-propanediol 868.97
    bromobenzene 1222.15
    dibromomethane 2733.75
    1,1,2,2-tetrachloroethane 3833.35
    2-methyl-cyclohexyl acetate 408.66
    tetrabutyl urea 231.92
    diisobutyl methanol 185.11
    2-phenylethanol 507.26
    styrene 548.53
    dioctyl adipate 309.3
    dimethyl sulfate 511.09
    ethyl butyrate 645.32
    methyl lactate 315.95
    butyl lactate 306.44
    diethyl carbonate 448.06
    propanediol butyl ether 370.86
    triethyl orthoformate 379.36
    p-tert-butyltoluene 139.04
    methyl 4-tert-butylbenzoate 390.35
    morpholine 3187.67
    tert-butylamine 868.63
    n-dodecanol 112.11
    dimethoxymethane 1177.49
    ethylene carbonate 929.82
    cyrene 387.47
    2-ethoxyethyl acetate 689.88
    2-ethylhexyl acetate 644.34
    1,2,4-trichlorobenzene 968.53
    4-methylpyridine 1851.97
    dibutyl ether 422.27
    2,6-dimethyl-4-heptanol 185.11
    DEF 1507.83
    dimethyl isosorbide 749.71
    tetrachloroethylene 2236.91
    eugenol 424.49
    triacetin 514.03
    span 80 385.55
    1,4-butanediol 298.38
    1,1-dichloroethane 2775.76
    2-methyl-1-pentanol 695.67
    methyl formate 781.47
    2-methyl-1-butanol 944.53
    n-decane 30.66
    butyronitrile 1478.66
    3,7-dimethyl-1-octanol 250.93
    1-chlorooctane 177.59
    1-chlorotetradecane 71.27
    n-nonane 27.25
    undecane 23.69
    tert-butylcyclohexane 78.98
    cyclooctane 41.53
    cyclopentanol 644.55
    tetrahydropyran 2460.41
    tert-amyl methyl ether 735.81
    2,5,8-trioxanonane 915.05
    1-hexene 540.41
    2-isopropoxyethanol 640.7
    2,2,2-trifluoroethanol 398.53
    methyl butyrate 1185.61

    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
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.1%