Sabinene hydrate

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  • Identifiers

    CAS number
    546-79-2

    Molecular formula
    C10H18O

    SMILES
    CC(C)C12CCC(C1C2)(C)O

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 1593.5

  • Odor profile

    Woody 73.5%
    Herbal 65.74%
    Spicy 60.0%
    Camphoreous 57.75%
    Mint 57.01%
    Sweet 55.39%
    Balsamic 54.26%
    Green 52.52%
    Earthy 52.15%
    Pine 51.35%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.24 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    209°C

    Flash point est.
    71.9 ˚C

  • Synonyms

    • Sabinene hydrate
    • 4-Thujanol
    • 546-79-2
    • 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol
    • 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
    • (Z)-Sabinene hydrate
    • cis-4-thujanol
    • Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-
    • Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-
    • cis-Thujane-4-ol
    • 4-Thujanol (natural)
    • cis-Sabinenehydrate
    • Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-; 4-Thujanol (6CI,7CI,8CI); 2-Methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol; Sabinene hydrate
    • EINECS 208-911-7
    • 4-Thujanol 100 microg/mL in Acetonitrile
    • sabinene hydrate (cis-)
    • SCHEMBL438844
    • CHEMBL5305985
    • CHEBI:16377
    • DTXSID40862164
    • (1.alpha.,2.beta.,5.alpha.)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
    • Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-
    • QAA53755
    • FS146170
    • DB-052630
    • NS00013239
    • G82585
    • Q27101876
    • 4-Thujanol;2- Methyl- 5- (1- methylethyl) -bicyclo[3.1.0] hexan- 2- ol

  • Applications

    Sabinene hydrate (CAS 546-79-2) is a monoterpene alcohol found in various essential oils and valued for its fresh, herbal–woody, slightly camphoraceous character: in fragrance it provides lift to citrus, pine, mint, and herbal accords, rounds out green/tea/eucalyptus/aromatic-spicy themes, and is used across fine fragrance, personal care, home care, candles, and deodorizing products; in flavor it is dosed at very low levels to impart cooling, herbal, subtly peppery and citrus nuances to beverages, confectionery, chewing gum, baked goods, and savory seasonings; in R&D it has been investigated for in‑vitro antimicrobial/antifungal and antioxidant properties, thus sometimes considered in “nature-inspired” cleaning or oral-care concepts to support a perception of freshness; in synthesis it serves as a chiral/terpenoid building block for fragrance esters, oxygenated derivatives, and specialty aroma ingredients; in agriculture and pest management it has been explored as a plant-derived repellent/behavior-modulating component or synergist, with adoption dependent on context and regulation; note its volatility and susceptibility to oxidation, so formulate with cool storage, light/oxygen protection (optionally antioxidants) and ensure compliance with applicable safety and use limits (e.g., IFRA for fragrances and local food-flavor regulations).

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1346.43
    methanol 1365.54
    isopropanol 1407.52
    water 8.98
    ethyl acetate 884.01
    n-propanol 1155.94
    acetone 1228.17
    n-butanol 923.36
    acetonitrile 1009.52
    DMF 1148.47
    toluene 331.27
    isobutanol 836.54
    1,4-dioxane 1597.84
    methyl acetate 980.16
    THF 2224.68
    2-butanone 976.78
    n-pentanol 503.05
    sec-butanol 825.86
    n-hexane 83.52
    ethylene glycol 408.42
    NMP 360.29
    cyclohexane 102.27
    DMSO 759.76
    n-butyl acetate 516.4
    n-octanol 321.79
    chloroform 1309.1
    n-propyl acetate 418.91
    acetic acid 447.45
    dichloromethane 939.87
    cyclohexanone 671.31
    propylene glycol 595.22
    isopropyl acetate 663.37
    DMAc 691.35
    2-ethoxyethanol 824.69
    isopentanol 749.8
    n-heptane 66.65
    ethyl formate 505.22
    1,2-dichloroethane 627.66
    n-hexanol 792.17
    2-methoxyethanol 1508.44
    isobutyl acetate 337.06
    tetrachloromethane 304.94
    n-pentyl acetate 312.27
    transcutol 1283.74
    n-heptanol 344.8
    ethylbenzene 196.38
    MIBK 562.32
    2-propoxyethanol 1361.81
    tert-butanol 1224.25
    MTBE 1097.47
    2-butoxyethanol 615.46
    propionic acid 532.39
    o-xylene 196.01
    formic acid 239.07
    diethyl ether 975.76
    m-xylene 257.52
    p-xylene 268.65
    chlorobenzene 375.77
    dimethyl carbonate 349.19
    n-octane 38.05
    formamide 400.26
    cyclopentanone 965.37
    2-pentanone 797.04
    anisole 477.69
    cyclopentyl methyl ether 649.9
    gamma-butyrolactone 907.14
    1-methoxy-2-propanol 1310.73
    pyridine 709.63
    3-pentanone 528.05
    furfural 651.28
    n-dodecane 32.36
    diethylene glycol 979.42
    diisopropyl ether 336.07
    tert-amyl alcohol 721.31
    acetylacetone 792.04
    n-hexadecane 36.24
    acetophenone 311.79
    methyl propionate 661.55
    isopentyl acetate 486.6
    trichloroethylene 912.06
    n-nonanol 274.17
    cyclohexanol 444.22
    benzyl alcohol 324.82
    2-ethylhexanol 295.72
    isooctanol 258.74
    dipropyl ether 433.61
    1,2-dichlorobenzene 284.46
    ethyl lactate 258.03
    propylene carbonate 475.14
    n-methylformamide 760.5
    2-pentanol 642.45
    n-pentane 105.43
    1-propoxy-2-propanol 846.6
    1-methoxy-2-propyl acetate 668.61
    2-(2-methoxypropoxy) propanol 414.21
    mesitylene 168.94
    ε-caprolactone 551.53
    p-cymene 133.88
    epichlorohydrin 1132.92
    1,1,1-trichloroethane 717.62
    2-aminoethanol 720.36
    morpholine-4-carbaldehyde 772.62
    sulfolane 645.02
    2,2,4-trimethylpentane 52.89
    2-methyltetrahydrofuran 1020.67
    n-hexyl acetate 444.47
    isooctane 63.45
    2-(2-butoxyethoxy)ethanol 592.4
    sec-butyl acetate 337.32
    tert-butyl acetate 627.41
    decalin 54.52
    glycerin 601.08
    diglyme 1008.03
    acrylic acid 386.55
    isopropyl myristate 191.9
    n-butyric acid 627.92
    acetyl acetate 474.2
    di(2-ethylhexyl) phthalate 144.53
    ethyl propionate 410.16
    nitromethane 929.02
    1,2-diethoxyethane 594.03
    benzonitrile 371.13
    trioctyl phosphate 122.04
    1-bromopropane 512.2
    gamma-valerolactone 1108.12
    n-decanol 204.55
    triethyl phosphate 151.74
    4-methyl-2-pentanol 443.78
    propionitrile 919.39
    vinylene carbonate 464.26
    1,1,2-trichlorotrifluoroethane 619.5
    DMS 366.82
    cumene 154.31
    2-octanol 236.2
    2-hexanone 451.61
    octyl acetate 222.18
    limonene 160.63
    1,2-dimethoxyethane 1199.3
    ethyl orthosilicate 157.66
    tributyl phosphate 139.71
    diacetone alcohol 647.5
    N,N-dimethylaniline 274.15
    acrylonitrile 871.63
    aniline 429.7
    1,3-propanediol 907.04
    bromobenzene 355.79
    dibromomethane 658.51
    1,1,2,2-tetrachloroethane 786.07
    2-methyl-cyclohexyl acetate 248.37
    tetrabutyl urea 158.7
    diisobutyl methanol 224.6
    2-phenylethanol 420.34
    styrene 216.51
    dioctyl adipate 179.23
    dimethyl sulfate 353.2
    ethyl butyrate 337.29
    methyl lactate 405.91
    butyl lactate 259.78
    diethyl carbonate 233.55
    propanediol butyl ether 487.71
    triethyl orthoformate 252.84
    p-tert-butyltoluene 151.72
    methyl 4-tert-butylbenzoate 294.42
    morpholine 1527.69
    tert-butylamine 814.21
    n-dodecanol 157.28
    dimethoxymethane 1125.66
    ethylene carbonate 447.03
    cyrene 269.9
    2-ethoxyethyl acetate 458.87
    2-ethylhexyl acetate 332.53
    1,2,4-trichlorobenzene 304.99
    4-methylpyridine 654.42
    dibutyl ether 317.14
    2,6-dimethyl-4-heptanol 224.6
    DEF 509.37
    dimethyl isosorbide 526.86
    tetrachloroethylene 507.04
    eugenol 306.33
    triacetin 329.21
    span 80 319.4
    1,4-butanediol 348.39
    1,1-dichloroethane 894.85
    2-methyl-1-pentanol 365.89
    methyl formate 587.83
    2-methyl-1-butanol 592.18
    n-decane 53.27
    butyronitrile 817.23
    3,7-dimethyl-1-octanol 299.3
    1-chlorooctane 187.87
    1-chlorotetradecane 73.91
    n-nonane 51.85
    undecane 40.62
    tert-butylcyclohexane 63.58
    cyclooctane 42.1
    cyclopentanol 589.72
    tetrahydropyran 1162.54
    tert-amyl methyl ether 527.28
    2,5,8-trioxanonane 586.79
    1-hexene 258.26
    2-isopropoxyethanol 605.44
    2,2,2-trifluoroethanol 275.15
    methyl butyrate 446.54

    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
Alpinia japonica Alpinia japonica Miq., fam. Zingiberaceae 0.7%
Amomum villosum Amomum villosum Lour., fam. Zingiberaceae 0.16%
Artemisia vestita (India) Artemisia vestita Wall. ex Dc., fam. Asteraceae (Compositae) 1.06%
Basil (Finland) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.2%
Bergamot (China) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.06%
Blackcurrant bud, absolute 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.06%
Calamintha nepeta (Greece) 1 Calamintha nepeta (L.) Savi (Melissa nepeta L.), fam. Lamiaceae (Labiatae) 0.25%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.48%
Hyssop (Himalaya) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 8.52%
Laurel leaf (Spain) 2 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.05%
Laurel leaf (Spain) 3 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.05%
Marihuana (India) Cannabis sativa L., fam. Cannabinaceae 0.4%
Mentha longifolia (Italy) 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.06%
Mentha longifolia (France) 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.9%
Mentha longifolia var. crispa (Italy) 90063-99-3 Mentha longifolia (L.) var. crispa Ten., fam. Lamiaceae (Labiatae) 1.31%
Orange leaf, sweet (North Africa) 1 Citrus sinensis (L.) Osbeck, cultivar Portuguese, fam. Rutaceae 0.3%
Orange leaf, sweet (North Africa) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.61%
Orange leaf, sweet (North Africa) 4 Citrus sinensis (L.) Osbeck, cultivar Washington navel, fam. Rutaceae 0.5%
Peppermint (Italy) 1 8006-90-4 Mentha piperita L. rubescens Camus (Spicatae section). fam. Lamiaceae 0.68%
Peppermint (Italy) 2 8006-90-4 Mentha piperita L. rubescens Camus (Spicatae section), fam. Lamiaceae 0.9%
Peppermint (Italy) 3 8006-90-4 Mentha piperita L. rubescens Camus (Spicatae section), fam. Lamiaceae 1.19%
Peppermint (Italy) 4 8006-90-4 Mentha piperita L. nothomorph pallescens Camus, fam. Lamiaceae (Labiatae) 1.02%
Peppermint 1 8006-90-4 Mentha piperita L. cultivar Mitcham, fam. Lamiaceae (Labiatae) 0.4%
Mentha arvensis, Glabrata Ray variety Mentha arvensis (L.) var. glabrata Ray, fam. Lamiaceae (Labiatae) 0.55%
Peppermint (India) 1 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.6%
Peppermint (Italy) 5 8006-90-4 Mentha piperita L. nothomorph rubescens Camus, fam. Lamiaceae (Labiatae) 0.54%
Peppermint (USA) 1 8006-90-4 Mentha piperita L. cultivar Mitcham, fam. Lamiaceae (Labiatae) 0.7%
Piper hancei (China) Piper hancei Maxim, fam. Piperaceae 0.12%
Santolina chamaecyparisus (France) 1 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.05%
Spearmint (Italy) 8008-79-5 Mentha spicata L., fam. Lamiaceae (Labiatae) 0.8%
Spearmint, scotch (Italy) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.39%
Tangerine (Brazil) 1 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Tangerine (Mexico) 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Tangerine (USA-California) 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Tangerine (USA-Florida) 1 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Basil (Taiwan), leaf 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Taiwan), flower 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Taiwan), stem 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.03%
Basil (Taiwan), whole plant 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.02%
Basil (Taiwan) leaf & flower 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Carrot seed (France) 4 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 1.29%
Carrot seed (France) 3 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.11%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.11%
Peppermint 2 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 1.5%
Juniper berry 4 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.9%
Cornmint (Mentha arvensis) (India) 3 Shivalik 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.02%
Laurel leaf (China) 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.5%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.18%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.24%
Acronychia pedunculata (China) Acronychia pedunculata (L.) Miq., fam. Rutaceae 0.88%