(+)-Santolina alcohol

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  • Identifiers

    CAS number
    35671-15-9

    Molecular formula
    C10H18O

    SMILES
    CC(=C[C@H](C=C)C(C)(C)O)C

    Retention indicies (RI)

    • DB5: 1037.0
    • Carbowax: 1438.0

  • Odor profile

    Herbal 66.57%
    Citrus 62.88%
    Woody 58.58%
    Floral 53.24%
    Fresh 49.34%
    Lemon 45.47%
    Lavender 44.26%
    Bergamot 39.07%
    Sweet 37.98%
    Pine 33.66%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    190°C

    Flash point est.
    68.85 ˚C

  • Synonyms

    • (+)-Santolina alcohol
    • 35671-15-9
    • (3S)-3-ETHENYL-2,5-DIMETHYLHEX-4-EN-2-OL
    • DTXSID80487451
    • (S)-2,5-Dimethyl-3-vinylhex-4-en-2-ol
    • 4-Hexen-2-ol, 3-ethenyl-2,5-dimethyl-, (S)-
    • 4-Hexen-2-ol, 3-ethenyl-2,5-dimethyl-, (3S)-
    • DTXCID80438261
    • AKOS017343047
    • SMP2_000316
    • (+)-Santolina alcohol, analytical standard

  • Applications

    (+)-Santolina alcohol (CAS 35671-15-9) is an optically active monoterpenoid used primarily in the fragrance-cosmetics sector as a material with herbaceous, balsamic, slightly camphoraceous facets that imparts freshness, dryness, and an artemisia-like character to fine fragrances, personal care, soaps, detergents, and air-care; in flavor and aroma analytics it serves as a GC-MS reference/marker and a tool for structure-odor and enantiomeric perception studies, while in organic synthesis it functions as a chiral-pool building block to access monoterpene derivatives, esters (e.g., santolinyl acetate), and stereodefined bicyclic scaffolds for the preparation of advanced intermediates used in pharmaceuticals and agrochemicals.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 124.42
    methanol 148.08
    isopropanol 208.58
    water 1.05
    ethyl acetate 178.2
    n-propanol 174.85
    acetone 202.64
    n-butanol 216.33
    acetonitrile 97.5
    DMF 303.61
    toluene 169.77
    isobutanol 203.17
    1,4-dioxane 312.9
    methyl acetate 193.56
    THF 554.73
    2-butanone 251.67
    n-pentanol 165.65
    sec-butanol 263.16
    n-hexane 219.05
    ethylene glycol 51.64
    NMP 347.52
    cyclohexane 165.28
    DMSO 173.66
    n-butyl acetate 230.79
    n-octanol 279.77
    chloroform 402.28
    n-propyl acetate 123.08
    acetic acid 79.12
    dichloromethane 219.68
    cyclohexanone 370.13
    propylene glycol 119.53
    isopropyl acetate 161.4
    DMAc 418.48
    2-ethoxyethanol 142.47
    isopentanol 236.04
    n-heptane 173.21
    ethyl formate 89.73
    1,2-dichloroethane 160.07
    n-hexanol 466.0
    2-methoxyethanol 209.86
    isobutyl acetate 129.97
    tetrachloromethane 121.99
    n-pentyl acetate 167.23
    transcutol 417.35
    n-heptanol 223.59
    ethylbenzene 156.34
    MIBK 211.42
    2-propoxyethanol 376.75
    tert-butanol 407.66
    MTBE 431.55
    2-butoxyethanol 223.16
    propionic acid 133.71
    o-xylene 168.6
    formic acid 25.66
    diethyl ether 242.23
    m-xylene 187.5
    p-xylene 193.97
    chlorobenzene 145.56
    dimethyl carbonate 81.54
    n-octane 80.91
    formamide 24.51
    cyclopentanone 385.6
    2-pentanone 227.06
    anisole 215.66
    cyclopentyl methyl ether 372.55
    gamma-butyrolactone 282.17
    1-methoxy-2-propanol 272.28
    pyridine 151.87
    3-pentanone 204.2
    furfural 218.52
    n-dodecane 63.59
    diethylene glycol 201.62
    diisopropyl ether 163.56
    tert-amyl alcohol 402.65
    acetylacetone 208.96
    n-hexadecane 68.71
    acetophenone 172.03
    methyl propionate 171.59
    isopentyl acetate 264.38
    trichloroethylene 295.52
    n-nonanol 241.96
    cyclohexanol 292.19
    benzyl alcohol 129.7
    2-ethylhexanol 315.68
    isooctanol 198.05
    dipropyl ether 270.32
    1,2-dichlorobenzene 158.75
    ethyl lactate 111.62
    propylene carbonate 196.53
    n-methylformamide 88.69
    2-pentanol 240.77
    n-pentane 151.62
    1-propoxy-2-propanol 365.53
    1-methoxy-2-propyl acetate 254.87
    2-(2-methoxypropoxy) propanol 267.87
    mesitylene 150.04
    ε-caprolactone 292.8
    p-cymene 157.23
    epichlorohydrin 268.28
    1,1,1-trichloroethane 297.56
    2-aminoethanol 92.93
    morpholine-4-carbaldehyde 316.54
    sulfolane 387.42
    2,2,4-trimethylpentane 109.87
    2-methyltetrahydrofuran 462.39
    n-hexyl acetate 326.38
    isooctane 90.48
    2-(2-butoxyethoxy)ethanol 288.76
    sec-butyl acetate 130.59
    tert-butyl acetate 240.32
    decalin 120.72
    glycerin 138.93
    diglyme 395.96
    acrylic acid 97.82
    isopropyl myristate 164.27
    n-butyric acid 168.2
    acetyl acetate 113.71
    di(2-ethylhexyl) phthalate 138.25
    ethyl propionate 139.05
    nitromethane 119.78
    1,2-diethoxyethane 201.99
    benzonitrile 143.62
    trioctyl phosphate 124.03
    1-bromopropane 209.39
    gamma-valerolactone 351.29
    n-decanol 194.69
    triethyl phosphate 117.58
    4-methyl-2-pentanol 202.21
    propionitrile 147.33
    vinylene carbonate 146.74
    1,1,2-trichlorotrifluoroethane 233.0
    DMS 177.55
    cumene 150.14
    2-octanol 196.7
    2-hexanone 191.64
    octyl acetate 199.58
    limonene 244.49
    1,2-dimethoxyethane 316.03
    ethyl orthosilicate 120.85
    tributyl phosphate 131.47
    diacetone alcohol 276.06
    N,N-dimethylaniline 195.76
    acrylonitrile 126.4
    aniline 131.34
    1,3-propanediol 118.04
    bromobenzene 159.88
    dibromomethane 197.31
    1,1,2,2-tetrachloroethane 346.47
    2-methyl-cyclohexyl acetate 222.12
    tetrabutyl urea 172.53
    diisobutyl methanol 201.25
    2-phenylethanol 222.94
    styrene 141.01
    dioctyl adipate 180.73
    dimethyl sulfate 140.74
    ethyl butyrate 164.51
    methyl lactate 133.87
    butyl lactate 161.81
    diethyl carbonate 118.87
    propanediol butyl ether 266.04
    triethyl orthoformate 149.02
    p-tert-butyltoluene 171.17
    methyl 4-tert-butylbenzoate 247.59
    morpholine 301.61
    tert-butylamine 336.07
    n-dodecanol 159.73
    dimethoxymethane 215.35
    ethylene carbonate 128.41
    cyrene 217.62
    2-ethoxyethyl acetate 162.07
    2-ethylhexyl acetate 228.1
    1,2,4-trichlorobenzene 196.78
    4-methylpyridine 220.08
    dibutyl ether 249.86
    2,6-dimethyl-4-heptanol 201.25
    DEF 226.77
    dimethyl isosorbide 375.27
    tetrachloroethylene 200.88
    eugenol 215.36
    triacetin 234.23
    span 80 283.78
    1,4-butanediol 68.88
    1,1-dichloroethane 248.85
    2-methyl-1-pentanol 195.3
    methyl formate 78.26
    2-methyl-1-butanol 239.15
    n-decane 101.44
    butyronitrile 171.0
    3,7-dimethyl-1-octanol 288.38
    1-chlorooctane 219.45
    1-chlorotetradecane 104.43
    n-nonane 112.73
    undecane 76.95
    tert-butylcyclohexane 145.35
    cyclooctane 96.52
    cyclopentanol 266.67
    tetrahydropyran 384.57
    tert-amyl methyl ether 374.72
    2,5,8-trioxanonane 299.33
    1-hexene 295.62
    2-isopropoxyethanol 155.03
    2,2,2-trifluoroethanol 43.63
    methyl butyrate 164.97

    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
Chamomile, wild (Morocco) Ormenis mixta, fam. Asteraceae (Compositae) 3.2%
Artemisia vestita (India) Artemisia vestita Wall. ex Dc., fam. Asteraceae (Compositae) 3.14%
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.2%
Artemisia judaica (Egypt) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.04%
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.06%
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.15%
Annual wormwood (France) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.09%
Achillea biebersteinii (Turkey) 2 Achillea biebersteinii Afan., fam. Asteraceae (Compositae) 0.14%
Ravensara aromatica (Finland) Ravensara aromatica Sonn., fam. Lauraceae 1.2%