alpha-Terpinyl butyrate

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  • Identifiers

    CAS number
    2153-28-8

    Molecular formula
    C14H24O2

    SMILES
    CCCC(=O)OC(C)(C)C1CCC(=CC1)C

  • Odor profile

    Fruity 79.99%
    Floral 73.14%
    Herbal 69.89%
    Spicy 55.08%
    Sweet 52.94%
    Woody 50.8%
    Rose 48.94%
    Citrus 47.86%
    Green 41.04%
    Apple 37.33%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 244.00 to 246.00 °C. @ 760.00 mm Hg

    Flash point est.
    115.49 ˚C

    Solubility expt.

    • insoluble in water; soluble in alcohols and oils

  • Synonyms

    • Terpinyl butyrate
    • 2153-28-8
    • alpha-Terpinyl butyrate
    • 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butanoate
    • Butanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
    • .alpha.-Terpinyl butyrate
    • alpha-Terpineol butanoate
    • Butyric acid, p-menth-1-en-8-yl ester
    • Terpinyl n-butyrate
    • P-Menth-1-en-8-yl butyrate
    • L94B6AU40N
    • 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butyrate
    • DTXSID30862850
    • EINECS 218-445-6
    • 4-Terpinenyl ester of n-butanoic acid
    • 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl butyrate
    • FEMA NO. 3049, .ALPHA.-
    • 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl butanoate
    • (+/-)-.ALPHA.-TERPINYL BUTYRATE
    • Terpinylbutyrat
    • trans-.beta.-Terpinyl butanoate
    • a-Terpineol butanoate
    • alpha -terpinyl butyrate
    • UNII-L94B6AU40N
    • FEMA No. 3049
    • SCHEMBL3504597
    • CHEMBL4159021
    • TERPINYL BUTYRATE [FHFI]
    • FEMA 3049
    • DTXCID10811563
    • CHEBI:171778
    • 38LE05T23D
    • FEMA NO. 3049, ALPHA-
    • Butanoic acid,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
    • CYCLOHEXANOL, 1-ETHYL-,ACETATE
    • (+/-)-ALPHA-TERPINYL BUTYRATE
    • alpha -terpinyl ester of N-butanoic acid
    • BS-32139
    • .alpha.-Terpinyl ester of n-butanoic acid
    • DB-326139
    • CS-0206229
    • NS00012918
    • .ALPHA.-TERPINYL BUTYRATE, (+/-)-
    • 2-(4-methylcyclohex-3-en-1-yl)propan-2-ylbutyrate
    • Q27282860
    • 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl butyrate #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1675.58
    methanol 1674.01
    isopropanol 1758.38
    water 0.94
    ethyl acetate 1121.18
    n-propanol 1351.4
    acetone 1130.42
    n-butanol 1358.67
    acetonitrile 1004.86
    DMF 1120.03
    toluene 1016.05
    isobutanol 1205.24
    1,4-dioxane 2363.94
    methyl acetate 833.44
    THF 2529.29
    2-butanone 1019.64
    n-pentanol 947.59
    sec-butanol 1415.25
    n-hexane 351.16
    ethylene glycol 105.82
    NMP 1084.48
    cyclohexane 661.13
    DMSO 780.46
    n-butyl acetate 1104.59
    n-octanol 643.01
    chloroform 4176.72
    n-propyl acetate 633.05
    acetic acid 825.18
    dichloromethane 2685.75
    cyclohexanone 1796.26
    propylene glycol 315.23
    isopropyl acetate 843.05
    DMAc 1009.88
    2-ethoxyethanol 671.58
    isopentanol 1269.01
    n-heptane 172.12
    ethyl formate 624.47
    1,2-dichloroethane 1352.18
    n-hexanol 1377.73
    2-methoxyethanol 1050.6
    isobutyl acetate 534.29
    tetrachloromethane 510.08
    n-pentyl acetate 685.5
    transcutol 2603.54
    n-heptanol 535.01
    ethylbenzene 550.58
    MIBK 679.59
    2-propoxyethanol 1235.77
    tert-butanol 1769.63
    MTBE 1543.82
    2-butoxyethanol 656.43
    propionic acid 676.69
    o-xylene 571.27
    formic acid 193.06
    diethyl ether 1335.58
    m-xylene 657.08
    p-xylene 744.76
    chlorobenzene 1093.17
    dimethyl carbonate 253.01
    n-octane 78.98
    formamide 250.84
    cyclopentanone 1313.54
    2-pentanone 907.5
    anisole 759.24
    cyclopentyl methyl ether 1195.54
    gamma-butyrolactone 1346.04
    1-methoxy-2-propanol 955.02
    pyridine 1599.94
    3-pentanone 624.54
    furfural 1090.38
    n-dodecane 71.51
    diethylene glycol 620.64
    diisopropyl ether 479.32
    tert-amyl alcohol 1414.58
    acetylacetone 847.81
    n-hexadecane 82.73
    acetophenone 620.96
    methyl propionate 635.47
    isopentyl acetate 1036.62
    trichloroethylene 2512.58
    n-nonanol 545.19
    cyclohexanol 1492.16
    benzyl alcohol 658.8
    2-ethylhexanol 708.36
    isooctanol 439.35
    dipropyl ether 629.13
    1,2-dichlorobenzene 898.04
    ethyl lactate 272.55
    propylene carbonate 934.59
    n-methylformamide 480.25
    2-pentanol 1019.08
    n-pentane 267.21
    1-propoxy-2-propanol 945.22
    1-methoxy-2-propyl acetate 843.17
    2-(2-methoxypropoxy) propanol 687.85
    mesitylene 411.21
    ε-caprolactone 1521.23
    p-cymene 317.55
    epichlorohydrin 1625.68
    1,1,1-trichloroethane 1627.52
    2-aminoethanol 377.7
    morpholine-4-carbaldehyde 1273.13
    sulfolane 1157.78
    2,2,4-trimethylpentane 140.81
    2-methyltetrahydrofuran 2030.41
    n-hexyl acetate 1120.51
    isooctane 114.45
    2-(2-butoxyethoxy)ethanol 956.47
    sec-butyl acetate 521.32
    tert-butyl acetate 842.58
    decalin 223.42
    glycerin 315.58
    diglyme 1358.72
    acrylic acid 445.31
    isopropyl myristate 401.54
    n-butyric acid 1286.09
    acetyl acetate 699.64
    di(2-ethylhexyl) phthalate 375.08
    ethyl propionate 543.58
    nitromethane 894.98
    1,2-diethoxyethane 1017.35
    benzonitrile 973.41
    trioctyl phosphate 272.11
    1-bromopropane 1236.95
    gamma-valerolactone 1716.38
    n-decanol 394.29
    triethyl phosphate 274.93
    4-methyl-2-pentanol 589.74
    propionitrile 959.27
    vinylene carbonate 889.35
    1,1,2-trichlorotrifluoroethane 921.41
    DMS 576.95
    cumene 360.67
    2-octanol 450.7
    2-hexanone 737.52
    octyl acetate 520.7
    limonene 501.35
    1,2-dimethoxyethane 1287.09
    ethyl orthosilicate 284.59
    tributyl phosphate 333.87
    diacetone alcohol 764.46
    N,N-dimethylaniline 488.61
    acrylonitrile 770.53
    aniline 912.99
    1,3-propanediol 673.77
    bromobenzene 1241.94
    dibromomethane 2058.13
    1,1,2,2-tetrachloroethane 2237.26
    2-methyl-cyclohexyl acetate 572.11
    tetrabutyl urea 393.91
    diisobutyl methanol 356.89
    2-phenylethanol 778.43
    styrene 659.23
    dioctyl adipate 514.93
    dimethyl sulfate 321.32
    ethyl butyrate 628.73
    methyl lactate 296.08
    butyl lactate 482.2
    diethyl carbonate 431.56
    propanediol butyl ether 711.02
    triethyl orthoformate 446.73
    p-tert-butyltoluene 314.58
    methyl 4-tert-butylbenzoate 593.37
    morpholine 2530.0
    tert-butylamine 1255.45
    n-dodecanol 292.91
    dimethoxymethane 830.35
    ethylene carbonate 805.58
    cyrene 480.79
    2-ethoxyethyl acetate 748.98
    2-ethylhexyl acetate 796.82
    1,2,4-trichlorobenzene 1018.66
    4-methylpyridine 1775.89
    dibutyl ether 703.13
    2,6-dimethyl-4-heptanol 356.89
    DEF 881.4
    dimethyl isosorbide 999.33
    tetrachloroethylene 1278.38
    eugenol 538.48
    triacetin 715.29
    span 80 707.37
    1,4-butanediol 285.13
    1,1-dichloroethane 1846.49
    2-methyl-1-pentanol 873.16
    methyl formate 362.05
    2-methyl-1-butanol 1190.67
    n-decane 123.87
    butyronitrile 1296.49
    3,7-dimethyl-1-octanol 610.33
    1-chlorooctane 436.42
    1-chlorotetradecane 176.57
    n-nonane 125.65
    undecane 90.16
    tert-butylcyclohexane 200.12
    cyclooctane 180.88
    cyclopentanol 1168.44
    tetrahydropyran 2637.62
    tert-amyl methyl ether 924.04
    2,5,8-trioxanonane 959.03
    1-hexene 906.37
    2-isopropoxyethanol 552.77
    2,2,2-trifluoroethanol 210.84
    methyl butyrate 732.67

    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