cis-Sabinyl acetate

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  • Identifiers

    CAS number
    3536-54-70

    Molecular formula
    C12H18O2

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

    Retention indicies (RI)

    • DB5: 1290.0
    • Carbowax: 1652.0

  • Odor profile

    Fragrance
    Woody 68.3%
    Herbal 60.6%
    Mint 54.98%
    Fresh 45.64%
    Camphoreous 43.31%
    Pine 41.7%
    Spicy 41.28%
    Cooling 41.13%
    Cedar 35.24%
    Fruity 34.2%

     

    Flavor
    Bitter 53.16%
    Fruity 38.98%
    Woody 36.04%
    Herbal 28.77%
    Minty 24.9%
    Floral 23.56%
    Fruit 21.83%
    Tropical 21.64%
    Cedarleaf 21.36%
    Broom 20.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.78 (weak base)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point

    • 88.54 ˚C est.

  • Synonyms

    • cis-Sabinyl acetate
    • (Z)-Sabinyl acetate
    • (Z)-Sabinene hydrate acetate
    • PBWRFXQNNGSAQG-RAMGSTBQSA-N
    • Q67879805

  • Applications

    cis-Sabinyl acetate (CAS 3536-54-70) is primarily used in fragrance chemistry as an aroma compound and as an intermediate for synthesizing other monoterpene esters; in perfumery it can function as a scent ingredient and may contribute as a minor fixative to extend fragrance longevity. It may also be used in cosmetics and personal care formulations as part of fragrance blends. In household products, it may serve as a fragrance component in air fresheners and cleaners. In industrial manufacturing, it is used as an intermediate to access sabinene-derived esters and other fragrance-related intermediates. In coatings, inks, and plastics, it may be employed as a fragrance additive or scent-release component, subject to formulation constraints.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1298.59
    methanol 1475.3
    isopropanol 1379.64
    water 4.0
    ethyl acetate 963.87
    n-propanol 1112.02
    acetone 1271.27
    n-butanol 931.93
    acetonitrile 889.82
    DMF 1636.67
    toluene 542.14
    isobutanol 849.28
    1,4-dioxane 2063.63
    methyl acetate 1056.19
    THF 2428.33
    2-butanone 1056.43
    n-pentanol 454.53
    sec-butanol 896.25
    n-hexane 34.23
    ethylene glycol 361.41
    NMP 609.59
    cyclohexane 80.44
    DMSO 915.86
    n-butyl acetate 439.65
    n-octanol 137.21
    chloroform 2599.07
    n-propyl acetate 452.63
    acetic acid 666.66
    dichloromethane 1685.24
    cyclohexanone 889.1
    propylene glycol 521.85
    isopropyl acetate 724.7
    DMAc 1199.65
    2-ethoxyethanol 870.17
    isopentanol 867.57
    n-heptane 12.83
    ethyl formate 524.24
    1,2-dichloroethane 1141.25
    n-hexanol 451.17
    2-methoxyethanol 1685.55
    isobutyl acetate 346.91
    tetrachloromethane 316.98
    n-pentyl acetate 245.68
    transcutol 1724.4
    n-heptanol 167.63
    ethylbenzene 264.12
    MIBK 571.64
    2-propoxyethanol 933.54
    tert-butanol 1362.51
    MTBE 1307.73
    2-butoxyethanol 429.7
    propionic acid 589.28
    o-xylene 290.91
    formic acid 386.5
    diethyl ether 971.93
    m-xylene 352.34
    p-xylene 368.54
    chlorobenzene 650.54
    dimethyl carbonate 429.11
    n-octane 6.52
    formamide 658.95
    cyclopentanone 1123.37
    2-pentanone 796.71
    anisole 682.36
    cyclopentyl methyl ether 778.47
    gamma-butyrolactone 1149.71
    1-methoxy-2-propanol 1354.5
    pyridine 1209.31
    3-pentanone 553.38
    furfural 995.54
    n-dodecane 6.23
    diethylene glycol 852.51
    diisopropyl ether 281.32
    tert-amyl alcohol 844.4
    acetylacetone 915.37
    n-hexadecane 7.54
    acetophenone 469.96
    methyl propionate 714.79
    isopentyl acetate 460.53
    trichloroethylene 1993.27
    n-nonanol 128.7
    cyclohexanol 564.92
    benzyl alcohol 481.65
    2-ethylhexanol 183.56
    isooctanol 146.58
    dipropyl ether 191.13
    1,2-dichlorobenzene 517.1
    ethyl lactate 233.78
    propylene carbonate 652.33
    n-methylformamide 873.7
    2-pentanol 597.1
    n-pentane 46.76
    1-propoxy-2-propanol 519.81
    1-methoxy-2-propyl acetate 624.43
    2-(2-methoxypropoxy) propanol 394.14
    mesitylene 202.33
    ε-caprolactone 766.13
    p-cymene 103.86
    epichlorohydrin 1788.79
    1,1,1-trichloroethane 1049.39
    2-aminoethanol 677.92
    morpholine-4-carbaldehyde 1088.92
    sulfolane 800.37
    2,2,4-trimethylpentane 32.61
    2-methyltetrahydrofuran 1403.31
    n-hexyl acetate 339.82
    isooctane 30.72
    2-(2-butoxyethoxy)ethanol 553.48
    sec-butyl acetate 406.0
    tert-butyl acetate 679.62
    decalin 40.25
    glycerin 579.9
    diglyme 1038.18
    acrylic acid 505.42
    isopropyl myristate 127.77
    n-butyric acid 732.05
    acetyl acetate 597.73
    di(2-ethylhexyl) phthalate 138.41
    ethyl propionate 418.59
    nitromethane 1090.75
    1,2-diethoxyethane 521.67
    benzonitrile 560.0
    trioctyl phosphate 86.69
    1-bromopropane 665.73
    gamma-valerolactone 1408.0
    n-decanol 90.93
    triethyl phosphate 136.14
    4-methyl-2-pentanol 385.69
    propionitrile 787.29
    vinylene carbonate 622.78
    1,1,2-trichlorotrifluoroethane 1024.44
    DMS 455.04
    cumene 170.96
    2-octanol 116.42
    2-hexanone 437.64
    octyl acetate 146.56
    limonene 124.15
    1,2-dimethoxyethane 1390.33
    ethyl orthosilicate 135.62
    tributyl phosphate 117.85
    diacetone alcohol 686.6
    N,N-dimethylaniline 351.19
    acrylonitrile 864.51
    aniline 734.66
    1,3-propanediol 950.11
    bromobenzene 654.32
    dibromomethane 1110.51
    1,1,2,2-tetrachloroethane 1639.51
    2-methyl-cyclohexyl acetate 228.53
    tetrabutyl urea 132.98
    diisobutyl methanol 136.54
    2-phenylethanol 445.99
    styrene 330.69
    dioctyl adipate 161.47
    dimethyl sulfate 486.98
    ethyl butyrate 265.48
    methyl lactate 420.52
    butyl lactate 230.38
    diethyl carbonate 202.04
    propanediol butyl ether 395.87
    triethyl orthoformate 197.97
    p-tert-butyltoluene 108.85
    methyl 4-tert-butylbenzoate 291.9
    morpholine 2285.77
    tert-butylamine 763.72
    n-dodecanol 65.6
    dimethoxymethane 1221.95
    ethylene carbonate 564.63
    cyrene 330.32
    2-ethoxyethyl acetate 449.9
    2-ethylhexyl acetate 317.93
    1,2,4-trichlorobenzene 622.26
    4-methylpyridine 1215.38
    dibutyl ether 172.67
    2,6-dimethyl-4-heptanol 136.54
    DEF 652.65
    dimethyl isosorbide 529.01
    tetrachloroethylene 973.37
    eugenol 315.15
    triacetin 331.43
    span 80 267.22
    1,4-butanediol 328.75
    1,1-dichloroethane 1400.6
    2-methyl-1-pentanol 438.22
    methyl formate 628.2
    2-methyl-1-butanol 687.23
    n-decane 10.54
    butyronitrile 696.91
    3,7-dimethyl-1-octanol 194.81
    1-chlorooctane 74.89
    1-chlorotetradecane 28.67
    n-nonane 8.95
    undecane 7.8
    tert-butylcyclohexane 38.0
    cyclooctane 20.98
    cyclopentanol 617.44
    tetrahydropyran 1555.05
    tert-amyl methyl ether 648.79
    2,5,8-trioxanonane 580.29
    1-hexene 167.21
    2-isopropoxyethanol 592.34
    2,2,2-trifluoroethanol 353.96
    methyl butyrate 527.74

    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
Juniperus foetidissima leaf Juniperus foetidissima Willd., fam. Cupressaceae 0.9%
Sage, spanish (Spain) 5 8016-65-7 Salvia lavandulaefolia Vahl. ssp. lavandulafolia, fam Lamiaceae (Labiatae) 0.3%
Sage, spanish (Spain) 7 8016-65-7 Salvia lavandulaefolia Vahl. ssp. vellerea (Chemotype 2), fam. Lamiaceae 17.0%
Sage, spanish (Spain) 8 8016-65-7 Salvia lavandulaefolia Vahl. ssp. blancoana, fam. Lamiaceae (Labiatae) 0.2%
Savin (var. Acadia) 8024-00-8 Juniperus sabina L. var. Acadia, fam. Cupressaceae 53.1%
Savin (var. Blue Danube) 8024-00-8 Juniperus sabina L. var. Blue Danube, fam. Cupressaceae 19.1%
Savin (var. J.S. Mascula) 8024-00-8 Juniperus sabina L. var. J.S. Mascula, fam. Cupressaceae 38.0%
Savin 3 8024-00-8 Juniperus sabina L., fam. Cupressaceae 47.4%
Savin 4 8024-00-8 Juniperus sabina L., fam. Cupressaceae 45.5%
Wormwood (Mugwort) (Germany) 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.1%
Wormwood (Mugwort) (U.S.A.) 1 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 40.0%
Wormwood (Mugwort) (Italy) 1 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 3.5%
Artemisia roxburghiana (Himalaya) Artemisia roxburghiana Wall. ex Bies, var. hypolenca, fam. Asteraceae 0.01%
Wormwood (Mugwort) (U.S.A.) 2 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 32.75%
Artemisia abaensis (China) Artemisia abaensis Y.R. Ling et S.Y. Zhao, fam. Asteraceae (Compositae) 0.38%
Artemisia vallesiaca (Italy) Artemisia vallesiaca All., fam. Asteraceae (Compositae) 0.01%
Angelica root (France) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.15%
Sage, spanish (Spain) 14 8016-65-7 Salvia lavandulaefolia Vahl., fam. Lamiaceae (Labiatae) 5.05%
Sage, spanish (Spain) 10 8016-65-7 Salvia lavandulaefolia Vahl, fam. Lamiaceae (Labiatae) 2.3%
Metrosideros robusta leaf Metrosideros robusta A. Cunn., fam. Myrtaceae 2.2%
Laurel leaf (Czechia) 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.2%