trans-Sabinene hydrate acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    87553-42-2

    Molecular formula
    C12H20O2

    SMILES
    CC(C)[C@@]12CC[C@](C1C2)(C)OC(=O)C

    Retention indicies (RI)

    • DB5: 1221.0
    • Carbowax: 1680.0

  • Odor profile

    Woody 89.03%
    Herbal 62.51%
    Balsamic 54.2%
    Pine 51.69%
    Spicy 48.3%
    Cedar 47.29%
    Fruity 45.66%
    Camphoreous 45.01%
    Fresh 43.77%
    Dry 43.35%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    235°C

    Flash point est.
    85.45 ˚C

  • Synonyms

    • trans-Sabinene hydrate acetate
    • Q67880141

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 745.91
    methanol 929.2
    isopropanol 715.68
    water 8.06
    ethyl acetate 748.24
    n-propanol 686.26
    acetone 1011.14
    n-butanol 598.57
    acetonitrile 778.0
    DMF 1481.8
    toluene 604.75
    isobutanol 551.18
    1,4-dioxane 1377.73
    methyl acetate 862.77
    THF 1823.4
    2-butanone 873.27
    n-pentanol 337.54
    sec-butanol 573.35
    n-hexane 66.38
    ethylene glycol 301.69
    NMP 976.98
    cyclohexane 126.24
    DMSO 917.79
    n-butyl acetate 392.02
    n-octanol 157.46
    chloroform 2302.55
    n-propyl acetate 364.42
    acetic acid 681.69
    dichloromethane 1576.35
    cyclohexanone 952.51
    propylene glycol 401.33
    isopropyl acetate 592.47
    DMAc 1160.75
    2-ethoxyethanol 590.22
    isopentanol 560.64
    n-heptane 23.11
    ethyl formate 421.74
    1,2-dichloroethane 1058.95
    n-hexanol 375.58
    2-methoxyethanol 1159.61
    isobutyl acetate 296.64
    tetrachloromethane 402.91
    n-pentyl acetate 263.93
    transcutol 1144.24
    n-heptanol 166.28
    ethylbenzene 295.5
    MIBK 480.44
    2-propoxyethanol 763.19
    tert-butanol 762.97
    MTBE 862.52
    2-butoxyethanol 394.84
    propionic acid 578.05
    o-xylene 336.18
    formic acid 392.59
    diethyl ether 697.49
    m-xylene 393.34
    p-xylene 399.79
    chlorobenzene 744.66
    dimethyl carbonate 412.97
    n-octane 10.44
    formamide 588.39
    cyclopentanone 1197.74
    2-pentanone 679.84
    anisole 639.14
    cyclopentyl methyl ether 782.01
    gamma-butyrolactone 1215.6
    1-methoxy-2-propanol 913.24
    pyridine 1103.09
    3-pentanone 548.46
    furfural 1059.03
    n-dodecane 9.63
    diethylene glycol 656.09
    diisopropyl ether 249.02
    tert-amyl alcohol 587.8
    acetylacetone 827.23
    n-hexadecane 11.56
    acetophenone 465.13
    methyl propionate 646.4
    isopentyl acetate 415.32
    trichloroethylene 1884.16
    n-nonanol 146.04
    cyclohexanol 530.08
    benzyl alcohol 413.27
    2-ethylhexanol 187.53
    isooctanol 143.23
    dipropyl ether 187.97
    1,2-dichlorobenzene 617.47
    ethyl lactate 213.24
    propylene carbonate 644.59
    n-methylformamide 785.9
    2-pentanol 413.12
    n-pentane 69.13
    1-propoxy-2-propanol 428.72
    1-methoxy-2-propyl acetate 566.94
    2-(2-methoxypropoxy) propanol 357.64
    mesitylene 239.77
    ε-caprolactone 810.38
    p-cymene 121.41
    epichlorohydrin 1558.15
    1,1,1-trichloroethane 1127.79
    2-aminoethanol 504.87
    morpholine-4-carbaldehyde 1081.34
    sulfolane 1142.37
    2,2,4-trimethylpentane 48.66
    2-methyltetrahydrofuran 1233.61
    n-hexyl acetate 396.72
    isooctane 38.45
    2-(2-butoxyethoxy)ethanol 445.62
    sec-butyl acetate 341.11
    tert-butyl acetate 597.21
    decalin 67.25
    glycerin 493.09
    diglyme 871.14
    acrylic acid 538.7
    isopropyl myristate 136.46
    n-butyric acid 609.99
    acetyl acetate 568.96
    di(2-ethylhexyl) phthalate 158.54
    ethyl propionate 367.04
    nitromethane 1200.36
    1,2-diethoxyethane 378.39
    benzonitrile 534.21
    trioctyl phosphate 102.19
    1-bromopropane 655.88
    gamma-valerolactone 1416.51
    n-decanol 99.83
    triethyl phosphate 150.34
    4-methyl-2-pentanol 286.76
    propionitrile 647.93
    vinylene carbonate 628.07
    1,1,2-trichlorotrifluoroethane 1033.67
    DMS 471.67
    cumene 198.89
    2-octanol 118.71
    2-hexanone 400.01
    octyl acetate 168.64
    limonene 157.1
    1,2-dimethoxyethane 954.56
    ethyl orthosilicate 143.43
    tributyl phosphate 131.37
    diacetone alcohol 574.74
    N,N-dimethylaniline 364.81
    acrylonitrile 755.22
    aniline 646.26
    1,3-propanediol 622.15
    bromobenzene 782.03
    dibromomethane 1051.84
    1,1,2,2-tetrachloroethane 1568.42
    2-methyl-cyclohexyl acetate 245.39
    tetrabutyl urea 156.43
    diisobutyl methanol 123.95
    2-phenylethanol 407.01
    styrene 360.83
    dioctyl adipate 184.07
    dimethyl sulfate 603.26
    ethyl butyrate 239.0
    methyl lactate 389.19
    butyl lactate 220.45
    diethyl carbonate 198.7
    propanediol butyl ether 351.39
    triethyl orthoformate 190.11
    p-tert-butyltoluene 127.49
    methyl 4-tert-butylbenzoate 333.97
    morpholine 1508.43
    tert-butylamine 493.24
    n-dodecanol 71.39
    dimethoxymethane 911.2
    ethylene carbonate 551.89
    cyrene 355.9
    2-ethoxyethyl acetate 426.11
    2-ethylhexyl acetate 327.88
    1,2,4-trichlorobenzene 763.14
    4-methylpyridine 1086.76
    dibutyl ether 168.9
    2,6-dimethyl-4-heptanol 123.95
    DEF 613.98
    dimethyl isosorbide 521.5
    tetrachloroethylene 974.09
    eugenol 325.6
    triacetin 376.98
    span 80 258.2
    1,4-butanediol 246.11
    1,1-dichloroethane 1171.62
    2-methyl-1-pentanol 339.13
    methyl formate 592.96
    2-methyl-1-butanol 505.64
    n-decane 16.94
    butyronitrile 562.53
    3,7-dimethyl-1-octanol 185.28
    1-chlorooctane 104.18
    1-chlorotetradecane 39.34
    n-nonane 15.03
    undecane 12.34
    tert-butylcyclohexane 61.17
    cyclooctane 39.02
    cyclopentanol 611.12
    tetrahydropyran 1216.39
    tert-amyl methyl ether 533.58
    2,5,8-trioxanonane 486.22
    1-hexene 229.71
    2-isopropoxyethanol 428.94
    2,2,2-trifluoroethanol 426.55
    methyl butyrate 427.53

    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

Botanical

Name CAS Botanical Proportion
Bergamot (Uruguay) 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.07%
Sage, dalmatian (Egypt) 2a 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.68%
Nutmeg (Jamaica) 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.05%
Marjoram, sweet 4b standard essential oil 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.2%
Marjoram, sweet 4c standard solvent extract 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.7%
Bergamot (Italy, Sicily) 1a Castagnaro 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.08%
Bergamot (Italy, Sicily) 1b Fantastico 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.08%
Bergamot (Italy, Sicily) 1c Feminello 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.05%
Bergamot (Italy, Sicily) 1d PCF 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.07%
Bergamot (Italy, Calabria) 8 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.07%