trans-beta-Terpinyl benzoate

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  • Identifiers

    Molecular formula
    C17H22O2

    SMILES
    CC(C)(C1CCC(=C)CC1)OC(=O)C2=CC=CC=C2

  • Odor profile

    Floral 68.12%
    Woody 59.58%
    Balsamic 58.46%
    Herbal 52.67%
    Fruity 44.12%
    Spicy 39.1%
    Sweet 37.84%
    Green 35.04%
    Amber 33.81%
    Rose 32.47%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point est.
    142.84 ˚C

  • Synonyms

    • trans-.beta.-Terpinyl benzoate
    • CTROGWVSSFFUJS-UHFFFAOYSA-N
    • 1-Methyl-1-(4-methylenecyclohexyl)ethyl benzoate #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1518.93
    methanol 1335.87
    isopropanol 1175.46
    water 0.11
    ethyl acetate 1418.98
    n-propanol 1305.86
    acetone 835.36
    n-butanol 1126.56
    acetonitrile 816.23
    DMF 897.57
    toluene 1093.35
    isobutanol 833.8
    1,4-dioxane 2307.33
    methyl acetate 965.78
    THF 2318.25
    2-butanone 1218.73
    n-pentanol 622.09
    sec-butanol 1069.17
    n-hexane 73.78
    ethylene glycol 32.97
    NMP 573.64
    cyclohexane 211.07
    DMSO 525.98
    n-butyl acetate 933.43
    n-octanol 218.38
    chloroform 3731.49
    n-propyl acetate 682.18
    acetic acid 374.41
    dichloromethane 2957.22
    cyclohexanone 1443.6
    propylene glycol 133.05
    isopropyl acetate 856.72
    DMAc 934.82
    2-ethoxyethanol 557.41
    isopentanol 879.3
    n-heptane 38.64
    ethyl formate 560.52
    1,2-dichloroethane 1810.98
    n-hexanol 731.71
    2-methoxyethanol 990.75
    isobutyl acetate 467.06
    tetrachloromethane 233.88
    n-pentyl acetate 402.92
    transcutol 2798.54
    n-heptanol 230.12
    ethylbenzene 442.05
    MIBK 561.76
    2-propoxyethanol 959.2
    tert-butanol 925.73
    MTBE 1132.65
    2-butoxyethanol 427.61
    propionic acid 384.34
    o-xylene 409.06
    formic acid 87.35
    diethyl ether 1587.22
    m-xylene 483.97
    p-xylene 510.81
    chlorobenzene 1056.68
    dimethyl carbonate 260.07
    n-octane 19.14
    formamide 218.5
    cyclopentanone 1177.21
    2-pentanone 934.57
    anisole 779.58
    cyclopentyl methyl ether 937.44
    gamma-butyrolactone 1032.02
    1-methoxy-2-propanol 879.58
    pyridine 1782.26
    3-pentanone 667.38
    furfural 844.44
    n-dodecane 19.88
    diethylene glycol 398.45
    diisopropyl ether 323.07
    tert-amyl alcohol 769.76
    acetylacetone 788.26
    n-hexadecane 24.09
    acetophenone 553.05
    methyl propionate 736.71
    isopentyl acetate 808.32
    trichloroethylene 2859.21
    n-nonanol 204.6
    cyclohexanol 823.41
    benzyl alcohol 494.06
    2-ethylhexanol 350.31
    isooctanol 195.07
    dipropyl ether 462.64
    1,2-dichlorobenzene 775.72
    ethyl lactate 216.57
    propylene carbonate 648.56
    n-methylformamide 390.56
    2-pentanol 706.26
    n-pentane 76.77
    1-propoxy-2-propanol 703.4
    1-methoxy-2-propyl acetate 798.42
    2-(2-methoxypropoxy) propanol 467.77
    mesitylene 260.05
    ε-caprolactone 1110.32
    p-cymene 172.79
    epichlorohydrin 1891.68
    1,1,1-trichloroethane 1306.09
    2-aminoethanol 209.52
    morpholine-4-carbaldehyde 909.09
    sulfolane 680.25
    2,2,4-trimethylpentane 42.92
    2-methyltetrahydrofuran 1822.39
    n-hexyl acetate 555.07
    isooctane 38.49
    2-(2-butoxyethoxy)ethanol 758.57
    sec-butyl acetate 536.38
    tert-butyl acetate 704.94
    decalin 81.29
    glycerin 141.27
    diglyme 1291.25
    acrylic acid 225.17
    isopropyl myristate 226.13
    n-butyric acid 870.94
    acetyl acetate 603.06
    di(2-ethylhexyl) phthalate 194.77
    ethyl propionate 607.28
    nitromethane 710.92
    1,2-diethoxyethane 1103.74
    benzonitrile 706.82
    trioctyl phosphate 126.34
    1-bromopropane 1238.48
    gamma-valerolactone 1419.35
    n-decanol 150.97
    triethyl phosphate 193.59
    4-methyl-2-pentanol 366.71
    propionitrile 873.36
    vinylene carbonate 622.55
    1,1,2-trichlorotrifluoroethane 589.59
    DMS 438.24
    cumene 234.09
    2-octanol 162.75
    2-hexanone 621.91
    octyl acetate 269.94
    limonene 246.76
    1,2-dimethoxyethane 1206.34
    ethyl orthosilicate 198.81
    tributyl phosphate 182.25
    diacetone alcohol 600.58
    N,N-dimethylaniline 398.61
    acrylonitrile 717.88
    aniline 827.14
    1,3-propanediol 478.07
    bromobenzene 1152.29
    dibromomethane 1909.92
    1,1,2,2-tetrachloroethane 2370.69
    2-methyl-cyclohexyl acetate 379.02
    tetrabutyl urea 206.21
    diisobutyl methanol 182.88
    2-phenylethanol 528.96
    styrene 556.83
    dioctyl adipate 310.44
    dimethyl sulfate 236.89
    ethyl butyrate 569.15
    methyl lactate 231.05
    butyl lactate 289.9
    diethyl carbonate 354.16
    propanediol butyl ether 353.46
    triethyl orthoformate 338.44
    p-tert-butyltoluene 169.8
    methyl 4-tert-butylbenzoate 379.97
    morpholine 2790.12
    tert-butylamine 584.68
    n-dodecanol 114.43
    dimethoxymethane 940.31
    ethylene carbonate 593.76
    cyrene 297.55
    2-ethoxyethyl acetate 589.03
    2-ethylhexyl acetate 601.77
    1,2,4-trichlorobenzene 789.5
    4-methylpyridine 1757.71
    dibutyl ether 404.82
    2,6-dimethyl-4-heptanol 182.88
    DEF 866.24
    dimethyl isosorbide 735.3
    tetrachloroethylene 1199.2
    eugenol 363.82
    triacetin 448.64
    span 80 388.54
    1,4-butanediol 136.84
    1,1-dichloroethane 1788.08
    2-methyl-1-pentanol 541.36
    methyl formate 271.65
    2-methyl-1-butanol 819.38
    n-decane 33.2
    butyronitrile 1078.56
    3,7-dimethyl-1-octanol 290.3
    1-chlorooctane 181.25
    1-chlorotetradecane 73.32
    n-nonane 28.57
    undecane 25.11
    tert-butylcyclohexane 67.89
    cyclooctane 47.2
    cyclopentanol 613.92
    tetrahydropyran 2705.24
    tert-amyl methyl ether 649.35
    2,5,8-trioxanonane 815.0
    1-hexene 431.11
    2-isopropoxyethanol 445.62
    2,2,2-trifluoroethanol 94.65
    methyl butyrate 789.5

    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