Terpinyl isovalerate

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  • Identifiers

    CAS number
    1142-85-4

    Molecular formula
    C15H26O2

    SMILES
    CC1=CCC(CC1)C(C)(C)OC(=O)CC(C)C

  • Odor profile

    Fragrance
    Herbal 74.99%
    Floral 71.49%
    Fruity 64.36%
    Sweet 55.07%
    Spicy 54.53%
    Woody 53.76%
    Citrus 52.87%
    Rose 45.69%
    Bergamot 39.95%
    Balsamic 38.88%

     

    Flavor
    Herbal 56.99%
    Fruity 53.63%
    Sweet 49.79%
    Citrus 45.0%
    Green 43.45%
    Tropical 39.98%
    Bitter 39.92%
    Lavender 39.28%
    Bergamot 37.74%
    Fruit 32.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.22 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 248.00 °C. @ 760.00 mm Hg

    Flash point

    • 117.1 ˚C est.

    Solubility expt.

    • very slightly
    • insoluble in water; soluble in alcohols

  • Synonyms

    • Alpha-terpinyl isovalerate
    • 1142-85-4
    • Terpinyl isopentanoate
    • 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 3-methylbutanoate
    • Terpinyl iso-valerate
    • Terpinyl isovalerianate
    • Isovaleric acid, p-menth-1-en-8-yl ester
    • FEMA No. 3054
    • P-Menth-1-en-8-yl isovalerate
    • P-Menth-1-en-8-yl isopentanoate
    • .alpha.-Terpinyl isovalerate
    • P-Menth-1-en-8-yl 3-methylbutyrate
    • Terpenyl isovalerate
    • P-Menth-1-en-8-yl 3-methylbutanoate
    • .alpha.-Terpinyl isopentanoate
    • P-Menth-1-en-8-yl beta-methylbutyrate
    • 41N48S2I2I
    • Butanoic acid, 3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
    • TERPINYL ISOVALERATE [FHFI]
    • n-Terpinenyl ester of isopentanoic acid
    • 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 3-methylbutanoate
    • 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 3-methylbutanoate
    • UNII-41N48S2I2I
    • alpha -terpenyl isovalerate
    • alpha -terpinyl isopentanoate
    • SCHEMBL3503692
    • DTXSID60921303
    • ALPHA-TERPINYL ISOPENTANOATE
    • Q27258454
    • 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 3-methylbutanoate #
    • 601-304-1

  • Applications

    Terpinyl isovalerate (CAS 1142-85-4) is primarily used as a fragrance ingredient in perfumery and cosmetics/personal care formulations. It is also employed in household products such as air fresheners and detergents to impart a distinctive aroma. In addition, it is used as a scent additive in coatings and inks for scented finishes in consumer products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1379.51
    methanol 1376.47
    isopropanol 1421.95
    water 1.43
    ethyl acetate 934.92
    n-propanol 1089.02
    acetone 1003.99
    n-butanol 1155.01
    acetonitrile 761.65
    DMF 961.14
    toluene 888.73
    isobutanol 981.52
    1,4-dioxane 2155.35
    methyl acetate 706.77
    THF 2582.87
    2-butanone 869.6
    n-pentanol 832.96
    sec-butanol 1189.31
    n-hexane 409.26
    ethylene glycol 100.21
    NMP 1077.83
    cyclohexane 706.19
    DMSO 677.42
    n-butyl acetate 1010.95
    n-octanol 688.79
    chloroform 3621.7
    n-propyl acetate 565.42
    acetic acid 921.11
    dichloromethane 2222.4
    cyclohexanone 1649.09
    propylene glycol 334.1
    isopropyl acetate 720.9
    DMAc 922.69
    2-ethoxyethanol 581.44
    isopentanol 1106.42
    n-heptane 239.64
    ethyl formate 568.76
    1,2-dichloroethane 1116.15
    n-hexanol 1357.21
    2-methoxyethanol 946.86
    isobutyl acetate 493.37
    tetrachloromethane 478.48
    n-pentyl acetate 651.85
    transcutol 2384.69
    n-heptanol 572.69
    ethylbenzene 525.74
    MIBK 615.69
    2-propoxyethanol 1205.16
    tert-butanol 1578.2
    MTBE 1308.62
    2-butoxyethanol 681.02
    propionic acid 654.55
    o-xylene 530.54
    formic acid 216.35
    diethyl ether 1015.02
    m-xylene 611.79
    p-xylene 740.17
    chlorobenzene 1016.49
    dimethyl carbonate 242.88
    n-octane 97.71
    formamide 239.92
    cyclopentanone 1244.56
    2-pentanone 785.02
    anisole 690.28
    cyclopentyl methyl ether 1171.12
    gamma-butyrolactone 1268.61
    1-methoxy-2-propanol 896.19
    pyridine 1366.5
    3-pentanone 566.31
    furfural 1062.92
    n-dodecane 84.14
    diethylene glycol 602.4
    diisopropyl ether 446.51
    tert-amyl alcohol 1305.39
    acetylacetone 761.43
    n-hexadecane 96.61
    acetophenone 578.59
    methyl propionate 557.27
    isopentyl acetate 957.88
    trichloroethylene 2227.3
    n-nonanol 591.36
    cyclohexanol 1335.5
    benzyl alcohol 617.07
    2-ethylhexanol 740.97
    isooctanol 468.24
    dipropyl ether 640.66
    1,2-dichlorobenzene 862.45
    ethyl lactate 283.58
    propylene carbonate 961.81
    n-methylformamide 423.2
    2-pentanol 898.69
    n-pentane 286.75
    1-propoxy-2-propanol 974.39
    1-methoxy-2-propyl acetate 811.75
    2-(2-methoxypropoxy) propanol 705.82
    mesitylene 413.33
    ε-caprolactone 1397.28
    p-cymene 338.74
    epichlorohydrin 1465.07
    1,1,1-trichloroethane 1486.12
    2-aminoethanol 362.03
    morpholine-4-carbaldehyde 1222.04
    sulfolane 1143.98
    2,2,4-trimethylpentane 157.57
    2-methyltetrahydrofuran 1974.1
    n-hexyl acetate 1094.93
    isooctane 128.91
    2-(2-butoxyethoxy)ethanol 975.28
    sec-butyl acetate 492.79
    tert-butyl acetate 772.96
    decalin 254.3
    glycerin 332.79
    diglyme 1323.33
    acrylic acid 448.11
    isopropyl myristate 427.3
    n-butyric acid 1215.0
    acetyl acetate 647.78
    di(2-ethylhexyl) phthalate 399.66
    ethyl propionate 489.01
    nitromethane 871.71
    1,2-diethoxyethane 904.13
    benzonitrile 864.18
    trioctyl phosphate 296.57
    1-bromopropane 989.91
    gamma-valerolactone 1669.04
    n-decanol 427.46
    triethyl phosphate 294.15
    4-methyl-2-pentanol 553.38
    propionitrile 706.82
    vinylene carbonate 860.42
    1,1,2-trichlorotrifluoroethane 956.1
    DMS 568.08
    cumene 361.77
    2-octanol 478.31
    2-hexanone 659.78
    octyl acetate 545.24
    limonene 513.45
    1,2-dimethoxyethane 1165.25
    ethyl orthosilicate 303.57
    tributyl phosphate 358.43
    diacetone alcohol 756.75
    N,N-dimethylaniline 461.66
    acrylonitrile 604.79
    aniline 819.14
    1,3-propanediol 623.16
    bromobenzene 1118.81
    dibromomethane 1726.36
    1,1,2,2-tetrachloroethane 2017.44
    2-methyl-cyclohexyl acetate 597.2
    tetrabutyl urea 418.33
    diisobutyl methanol 390.45
    2-phenylethanol 794.82
    styrene 592.74
    dioctyl adipate 544.65
    dimethyl sulfate 298.42
    ethyl butyrate 591.6
    methyl lactate 298.05
    butyl lactate 526.0
    diethyl carbonate 425.31
    propanediol butyl ether 765.11
    triethyl orthoformate 454.13
    p-tert-butyltoluene 331.52
    methyl 4-tert-butylbenzoate 612.95
    morpholine 2411.28
    tert-butylamine 1147.49
    n-dodecanol 326.22
    dimethoxymethane 709.45
    ethylene carbonate 787.22
    cyrene 512.95
    2-ethoxyethyl acetate 722.37
    2-ethylhexyl acetate 775.32
    1,2,4-trichlorobenzene 969.61
    4-methylpyridine 1546.35
    dibutyl ether 708.55
    2,6-dimethyl-4-heptanol 390.45
    DEF 742.33
    dimethyl isosorbide 1050.2
    tetrachloroethylene 1171.07
    eugenol 552.34
    triacetin 727.38
    span 80 787.4
    1,4-butanediol 253.29
    1,1-dichloroethane 1526.99
    2-methyl-1-pentanol 811.53
    methyl formate 338.04
    2-methyl-1-butanol 997.95
    n-decane 144.81
    butyronitrile 1024.58
    3,7-dimethyl-1-octanol 648.83
    1-chlorooctane 446.97
    1-chlorotetradecane 191.31
    n-nonane 147.01
    undecane 106.37
    tert-butylcyclohexane 233.71
    cyclooctane 216.89
    cyclopentanol 1090.18
    tetrahydropyran 2478.04
    tert-amyl methyl ether 805.31
    2,5,8-trioxanonane 945.53
    1-hexene 828.78
    2-isopropoxyethanol 514.31
    2,2,2-trifluoroethanol 247.97
    methyl butyrate 644.5

    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