1,2-Benzenedicarboxylic acid, 1-(2-methylpropyl) ester

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  • Identifiers

    Molecular formula
    C12H13O4-

    SMILES
    CC(C)COC(=O)C1=CC=CC=C1C(=O)[O-]

  • Odor profile

    Sweet 52.72%
    Balsamic 45.27%
    Floral 40.72%
    Odorless 37.21%
    Fruity 34.05%
    Honey 30.15%
    Powdery 29.71%
    Herbal 29.48%
    Winey 28.73%
    Grape 26.87%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    221.23 g/mol

    Flash point est.
    154.16 ˚C

  • Synonyms

    • 1,2-Benzenedicarboxylic acid, 1-(2-methylpropyl) ester

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1565.27
    methanol 1728.35
    isopropanol 999.19
    water 0.4
    ethyl acetate 721.88
    n-propanol 1324.86
    acetone 1044.04
    n-butanol 1178.09
    acetonitrile 773.04
    DMF 3907.94
    toluene 626.57
    isobutanol 932.87
    1,4-dioxane 668.85
    methyl acetate 866.2
    THF 1045.46
    2-butanone 1420.5
    n-pentanol 582.13
    sec-butanol 1285.71
    n-hexane 12.11
    ethylene glycol 168.31
    NMP 1523.58
    cyclohexane 17.7
    DMSO 1034.78
    n-butyl acetate 430.84
    n-octanol 124.91
    chloroform 720.18
    n-propyl acetate 359.41
    acetic acid 485.75
    dichloromethane 759.87
    cyclohexanone 974.66
    propylene glycol 250.56
    isopropyl acetate 413.71
    DMAc 2649.16
    2-ethoxyethanol 757.67
    isopentanol 907.29
    n-heptane 4.38
    ethyl formate 384.3
    1,2-dichloroethane 894.2
    n-hexanol 453.98
    2-methoxyethanol 1592.75
    isobutyl acetate 199.54
    tetrachloromethane 41.76
    n-pentyl acetate 184.39
    transcutol 930.44
    n-heptanol 161.74
    ethylbenzene 254.01
    MIBK 506.55
    2-propoxyethanol 715.23
    tert-butanol 1070.96
    MTBE 806.59
    2-butoxyethanol 341.78
    propionic acid 436.66
    o-xylene 315.45
    formic acid 266.74
    diethyl ether 665.45
    m-xylene 312.05
    p-xylene 239.69
    chlorobenzene 410.8
    dimethyl carbonate 291.13
    n-octane 3.82
    formamide 688.36
    cyclopentanone 1061.63
    2-pentanone 986.99
    anisole 530.07
    cyclopentyl methyl ether 671.44
    gamma-butyrolactone 920.07
    1-methoxy-2-propanol 1181.9
    pyridine 1085.23
    3-pentanone 637.68
    furfural 759.86
    n-dodecane 4.5
    diethylene glycol 460.38
    diisopropyl ether 121.4
    tert-amyl alcohol 1283.12
    acetylacetone 619.55
    n-hexadecane 5.18
    acetophenone 436.16
    methyl propionate 847.94
    isopentyl acetate 420.58
    trichloroethylene 1408.19
    n-nonanol 111.6
    cyclohexanol 620.26
    benzyl alcohol 523.12
    2-ethylhexanol 197.36
    isooctanol 130.18
    dipropyl ether 114.73
    1,2-dichlorobenzene 288.58
    ethyl lactate 173.52
    propylene carbonate 434.13
    n-methylformamide 1413.56
    2-pentanol 771.82
    n-pentane 16.96
    1-propoxy-2-propanol 400.82
    1-methoxy-2-propyl acetate 387.98
    2-(2-methoxypropoxy) propanol 235.31
    mesitylene 117.04
    ε-caprolactone 737.25
    p-cymene 74.05
    epichlorohydrin 1579.84
    1,1,1-trichloroethane 465.02
    2-aminoethanol 542.98
    morpholine-4-carbaldehyde 1135.5
    sulfolane 810.2
    2,2,4-trimethylpentane 18.64
    2-methyltetrahydrofuran 1052.39
    n-hexyl acetate 250.89
    isooctane 10.06
    2-(2-butoxyethoxy)ethanol 369.76
    sec-butyl acetate 272.46
    tert-butyl acetate 450.89
    decalin 19.92
    glycerin 256.31
    diglyme 613.05
    acrylic acid 344.33
    isopropyl myristate 78.23
    n-butyric acid 664.25
    acetyl acetate 241.59
    di(2-ethylhexyl) phthalate 80.36
    ethyl propionate 322.38
    nitromethane 977.66
    1,2-diethoxyethane 302.85
    benzonitrile 458.17
    trioctyl phosphate 60.33
    1-bromopropane 530.76
    gamma-valerolactone 1252.66
    n-decanol 83.36
    triethyl phosphate 88.35
    4-methyl-2-pentanol 309.52
    propionitrile 778.32
    vinylene carbonate 391.55
    1,1,2-trichlorotrifluoroethane 574.55
    DMS 218.88
    cumene 120.82
    2-octanol 102.09
    2-hexanone 464.86
    octyl acetate 113.11
    limonene 116.74
    1,2-dimethoxyethane 864.66
    ethyl orthosilicate 86.08
    tributyl phosphate 76.14
    diacetone alcohol 753.77
    N,N-dimethylaniline 321.75
    acrylonitrile 988.77
    aniline 729.88
    1,3-propanediol 762.96
    bromobenzene 359.73
    dibromomethane 554.52
    1,1,2,2-tetrachloroethane 1048.56
    2-methyl-cyclohexyl acetate 158.63
    tetrabutyl urea 110.68
    diisobutyl methanol 99.93
    2-phenylethanol 379.56
    styrene 325.23
    dioctyl adipate 108.38
    dimethyl sulfate 339.95
    ethyl butyrate 207.26
    methyl lactate 355.45
    butyl lactate 162.49
    diethyl carbonate 124.28
    propanediol butyl ether 254.78
    triethyl orthoformate 111.98
    p-tert-butyltoluene 70.62
    methyl 4-tert-butylbenzoate 195.28
    morpholine 1399.26
    tert-butylamine 511.59
    n-dodecanol 59.27
    dimethoxymethane 1127.86
    ethylene carbonate 318.87
    cyrene 256.87
    2-ethoxyethyl acetate 283.22
    2-ethylhexyl acetate 275.4
    1,2,4-trichlorobenzene 341.77
    4-methylpyridine 1522.12
    dibutyl ether 110.96
    2,6-dimethyl-4-heptanol 99.93
    DEF 1327.53
    dimethyl isosorbide 346.83
    tetrachloroethylene 518.49
    eugenol 221.82
    triacetin 157.43
    span 80 169.65
    1,4-butanediol 243.64
    1,1-dichloroethane 803.13
    2-methyl-1-pentanol 600.44
    methyl formate 668.35
    2-methyl-1-butanol 1089.82
    n-decane 6.74
    butyronitrile 779.65
    3,7-dimethyl-1-octanol 158.46
    1-chlorooctane 61.48
    1-chlorotetradecane 22.23
    n-nonane 5.65
    undecane 5.37
    tert-butylcyclohexane 19.61
    cyclooctane 5.9
    cyclopentanol 561.08
    tetrahydropyran 859.13
    tert-amyl methyl ether 771.6
    2,5,8-trioxanonane 384.23
    1-hexene 150.19
    2-isopropoxyethanol 495.28
    2,2,2-trifluoroethanol 165.64
    methyl butyrate 507.97

    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