Terpinyl isobutyrate

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  • Identifiers

    CAS number
    7774-65-4

    Molecular formula
    C14H24O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 71.88%
    Floral 71.52%
    Herbal 69.51%
    Citrus 59.81%
    Green 57.43%
    Spicy 56.36%
    Woody 56.27%
    Sweet 54.63%
    Bergamot 41.72%
    Rose 41.27%

     

    Flavor
    Fruity 63.12%
    Herbal 52.83%
    Citrus 52.05%
    Green 47.49%
    Tropical 44.04%
    Sweet 42.22%
    Lavender 41.77%
    Bergamot 40.72%
    Bitter 39.38%
    Woody 34.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.42 (weak base)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 242.00 °C. @ 760.00 mm Hg

    Flash point

    • 106.93 ˚C est.

    Solubility expt.

    • very slightly
    • insoluble in water; soluble in alcohols and oils

  • Synonyms

    • Terpinyl isobutyrate
    • 7774-65-4
    • FEMA No. 3050
    • P-Menth-1-en-8-yl isobutyrate
    • 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate
    • .alpha.-Terpinyl isobutyrate
    • alpha-terpinyl isobutyrate
    • Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
    • UNII-Z55SZR66DG
    • EINECS 231-878-5
    • Z55SZR66DG
    • BRN 3129659
    • p-menth-1-en-8-yl-isobutyrate
    • 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate
    • .alpha.-Terpinyl ester of isobutanoic acid
    • DTXSID50864114
    • TERPINYL ISOBUTYRATE [FHFI]
    • 2-06-00-00067 (Beilstein Handbook Reference)
    • 2-Methylpropanoic acid 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
    • Propanoic acid,2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
    • TERPINYL ISOBUTYRATE, (+/-)-
    • alpha-Terpinyl ester of isobutanoic acid
    • P-MENTH-1-EN-8-YL-ISOBUTYRATE, (+/-)-
    • Propanoic acid, 2-methyl-, 1-methyl-1-[4-methyl-3-cyclohexen-1-yl]ethyl ester
    • PROPANOIC ACID, 2-METHYL-, 1-METHYL-1-(4-METHYL-3-CYCLOHEXEN-1-YL)ETHYL ESTER, (+/-)-
    • Terpinyl iso-butyrate
    • 1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate
    • CHEMBL4169675
    • SCHEMBL17389214
    • DTXCID80812663
    • CHEBI:171786
    • p-menth-1-en-8-yl 2-methylpropanoate
    • NS00045340
    • Q27295011
    • PROPANOIC ACID, 2-METHYL-, 1-METHYL-1-(4-METHYL-3- CYCLOHEXEN-1-YL)ETHYL ESTER
    • Propanoic acid,2-methyl-,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
    • 231-878-5

  • Applications

    Terpinyl isobutyrate (CAS 7774-65-4) is primarily used as a fragrance ingredient in perfumery and cosmetics, providing fresh, fruity notes and often acting as a fixative to extend odor longevity. In cosmetics and personal care, it is commonly formulated in fragrances for perfumes, body care products, and shampoos. In household products and cleaners, it can function as a scent additive for air fresheners and surface cleaners. In coatings and inks, it may be employed as a fragrance component to impart a pleasant odor to paints, coatings, and printed materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 931.85
    methanol 718.01
    isopropanol 1306.73
    water 1.27
    ethyl acetate 973.03
    n-propanol 923.41
    acetone 955.55
    n-butanol 1018.87
    acetonitrile 750.05
    DMF 1111.45
    toluene 1111.52
    isobutanol 1037.49
    1,4-dioxane 1693.22
    methyl acetate 894.22
    THF 1955.7
    2-butanone 1134.02
    n-pentanol 836.19
    sec-butanol 1354.93
    n-hexane 412.68
    ethylene glycol 81.97
    NMP 978.93
    cyclohexane 548.68
    DMSO 526.61
    n-butyl acetate 1127.99
    n-octanol 757.67
    chloroform 3670.24
    n-propyl acetate 707.62
    acetic acid 545.48
    dichloromethane 2380.74
    cyclohexanone 1638.29
    propylene glycol 237.17
    isopropyl acetate 854.78
    DMAc 1264.31
    2-ethoxyethanol 664.44
    isopentanol 1087.21
    n-heptane 192.65
    ethyl formate 548.76
    1,2-dichloroethane 1255.98
    n-hexanol 1253.98
    2-methoxyethanol 806.46
    isobutyl acetate 619.19
    tetrachloromethane 647.96
    n-pentyl acetate 757.03
    transcutol 1786.42
    n-heptanol 671.07
    ethylbenzene 764.91
    MIBK 711.72
    2-propoxyethanol 1079.85
    tert-butanol 1605.98
    MTBE 1766.06
    2-butoxyethanol 736.19
    propionic acid 530.03
    o-xylene 756.98
    formic acid 123.75
    diethyl ether 1056.08
    m-xylene 810.54
    p-xylene 1059.14
    chlorobenzene 1056.49
    dimethyl carbonate 280.79
    n-octane 129.94
    formamide 183.08
    cyclopentanone 1304.12
    2-pentanone 901.22
    anisole 889.23
    cyclopentyl methyl ether 1056.93
    gamma-butyrolactone 1242.85
    1-methoxy-2-propanol 810.35
    pyridine 1314.33
    3-pentanone 722.16
    furfural 1030.84
    n-dodecane 104.82
    diethylene glycol 525.27
    diisopropyl ether 556.44
    tert-amyl alcohol 1486.03
    acetylacetone 895.63
    n-hexadecane 119.41
    acetophenone 752.32
    methyl propionate 646.22
    isopentyl acetate 1130.9
    trichloroethylene 2446.0
    n-nonanol 643.94
    cyclohexanol 1182.73
    benzyl alcohol 679.15
    2-ethylhexanol 776.06
    isooctanol 581.22
    dipropyl ether 619.36
    1,2-dichlorobenzene 950.08
    ethyl lactate 313.32
    propylene carbonate 919.81
    n-methylformamide 382.07
    2-pentanol 956.47
    n-pentane 286.12
    1-propoxy-2-propanol 917.21
    1-methoxy-2-propyl acetate 849.8
    2-(2-methoxypropoxy) propanol 670.35
    mesitylene 543.23
    ε-caprolactone 1463.56
    p-cymene 427.45
    epichlorohydrin 1443.27
    1,1,1-trichloroethane 1804.66
    2-aminoethanol 269.67
    morpholine-4-carbaldehyde 1211.13
    sulfolane 1045.9
    2,2,4-trimethylpentane 202.01
    2-methyltetrahydrofuran 1759.55
    n-hexyl acetate 1179.04
    isooctane 157.12
    2-(2-butoxyethoxy)ethanol 823.66
    sec-butyl acetate 636.54
    tert-butyl acetate 914.09
    decalin 278.0
    glycerin 225.09
    diglyme 1226.24
    acrylic acid 372.99
    isopropyl myristate 468.26
    n-butyric acid 949.44
    acetyl acetate 668.23
    di(2-ethylhexyl) phthalate 394.42
    ethyl propionate 594.73
    nitromethane 671.96
    1,2-diethoxyethane 958.48
    benzonitrile 950.06
    trioctyl phosphate 304.0
    1-bromopropane 1218.3
    gamma-valerolactone 1617.86
    n-decanol 460.5
    triethyl phosphate 320.67
    4-methyl-2-pentanol 620.33
    propionitrile 803.26
    vinylene carbonate 847.97
    1,1,2-trichlorotrifluoroethane 842.04
    DMS 647.62
    cumene 525.68
    2-octanol 602.37
    2-hexanone 805.47
    octyl acetate 594.44
    limonene 600.27
    1,2-dimethoxyethane 1194.58
    ethyl orthosilicate 335.64
    tributyl phosphate 357.22
    diacetone alcohol 778.02
    N,N-dimethylaniline 634.99
    acrylonitrile 674.57
    aniline 866.0
    1,3-propanediol 481.25
    bromobenzene 1230.91
    dibromomethane 1818.81
    1,1,2,2-tetrachloroethane 2221.21
    2-methyl-cyclohexyl acetate 656.12
    tetrabutyl urea 404.77
    diisobutyl methanol 423.86
    2-phenylethanol 808.62
    styrene 816.07
    dioctyl adipate 555.2
    dimethyl sulfate 384.98
    ethyl butyrate 681.61
    methyl lactate 293.45
    butyl lactate 535.9
    diethyl carbonate 480.63
    propanediol butyl ether 728.45
    triethyl orthoformate 487.97
    p-tert-butyltoluene 434.01
    methyl 4-tert-butylbenzoate 709.97
    morpholine 1720.48
    tert-butylamine 1268.2
    n-dodecanol 351.03
    dimethoxymethane 724.7
    ethylene carbonate 726.67
    cyrene 514.56
    2-ethoxyethyl acetate 762.14
    2-ethylhexyl acetate 902.06
    1,2,4-trichlorobenzene 1069.85
    4-methylpyridine 1801.91
    dibutyl ether 765.2
    2,6-dimethyl-4-heptanol 423.86
    DEF 892.26
    dimethyl isosorbide 970.67
    tetrachloroethylene 1359.4
    eugenol 607.5
    triacetin 760.05
    span 80 685.13
    1,4-butanediol 267.61
    1,1-dichloroethane 1858.86
    2-methyl-1-pentanol 912.05
    methyl formate 309.27
    2-methyl-1-butanol 1069.15
    n-decane 179.53
    butyronitrile 1041.71
    3,7-dimethyl-1-octanol 723.68
    1-chlorooctane 554.71
    1-chlorotetradecane 237.56
    n-nonane 179.22
    undecane 132.06
    tert-butylcyclohexane 277.49
    cyclooctane 197.67
    cyclopentanol 993.46
    tetrahydropyran 1923.44
    tert-amyl methyl ether 1185.66
    2,5,8-trioxanonane 845.55
    1-hexene 889.33
    2-isopropoxyethanol 632.23
    2,2,2-trifluoroethanol 190.77
    methyl butyrate 807.18

    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