Daucol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    887-08-1

    Molecular formula
    C15H26O2

    SMILES
    CC(C)[C@H]1CC[C@]2([C@]13CC[C@](O3)([C@H](C2)O)C)C

    Retention indicies (RI)

    • DB5: 1638.0

  • Odor profile

    Woody 68.43%
    Herbal 50.06%
    Mint 47.91%
    Earthy 45.05%
    Spicy 44.93%
    Camphoreous 42.93%
    Cooling 38.79%
    Fresh 37.05%
    Pine 34.51%
    Amber 33.62%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    332°C

    Flash point est.
    142.63 ˚C

  • Synonyms

    • Daucol
    • Daucol [MI]
    • (-)-Daucol
    • 887-08-1
    • UNII-I0ZU59LV27
    • I0ZU59LV27
    • (3R,3aS,6S,7S,8aR)-Octahydro-6,8a-dimethyl-3-(1-methylethyl)-1H-3a,6-epoxyazulen-7-ol
    • 1H-3a,6-Epoxyazulen-7-ol, octahydro-6,8a-dimethyl-3-(1-methylethyl)-, (3R,3aS,6S,7S,8aR)-
    • DTXSID90331810
    • (1S,2R,5R,7S,8S)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol
    • C09652
    • 1H-3a,6-Epoxyazulen-7-ol, 2,3,4,5,6,7.alpha.,8,8a-octahydro-3.alpha.-isopropyl-6.beta.,8a.alpha.-dimethyl-, (-)-
    • cis-5.beta.,8.beta.-Epoxydaucan-9.alpha.-ol
    • AC1L9COK
    • (1S,2R,5R,7S,8S)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo(6.2.1.01,5)undecan-7-ol
    • 1H-3a,6-Epoxyazulen-7-ol, octahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3.alpha.,3a.alpha.,6.alpha.,7.beta.,8a.alpha.)]-
    • cis-5beta,8beta-Epoxydaucan-9alpha-ol (Daucol)
    • CHEBI:4329
    • DTXCID40282904
    • cis-5beta,8beta-Epoxydaucan-9alpha-ol
    • Q27106340
    • 1H-3a,6-Epoxyazulen-7-ol, 2,3,4,5,6,7alpha,8,8a-octahydro-3alpha-isopropyl-6beta,8aalpha-dimethyl-, (-)-
    • 1H-3a,6-Epoxyazulen-7-ol, octahydro-6,8a-dimethyl-3-(1-methylethyl)-, (3R-(3alpha,3aalpha,6alpha,7beta,8aalpha))-

  • Applications

    Daucol (CAS 887-08-1) is a sesquiterpene alcohol reported to occur naturally in carrot seed oil; in perfumery it is used as an earthy-warm, woody-rooty nuance builder that reinforces woody, spicy and herbal themes in fine fragrance, soaps, candles and home care; in cosmetics it functions as a fragrance ingredient/modifier that rounds and extends accords featuring vetiver, patchouli, orris or ionones; in analysis and quality control it serves as a characteristic marker to help authenticate carrot seed essential oil and as a GC–MS reference in natural products studies; in biological research it is occasionally explored for antimicrobial, antioxidant or odor-synergy effects with other sesquiterpenes; in formulation it dissolves well in oily phases and perfumery solvents and is typically dosed very low (trace to ppm) due to its strong, distinctive odor, with antioxidants and tight, light-protected storage recommended to limit oxidation; its use should comply with applicable regulations (e.g., IFRA/REACH and, where relevant, food laws) and product-specific safety assessments.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 284.43
    methanol 450.65
    isopropanol 339.7
    water 6.87
    ethyl acetate 479.85
    n-propanol 330.41
    acetone 656.55
    n-butanol 306.22
    acetonitrile 432.39
    DMF 872.91
    toluene 489.84
    isobutanol 261.52
    1,4-dioxane 936.17
    methyl acetate 463.09
    THF 1591.79
    2-butanone 551.63
    n-pentanol 168.33
    sec-butanol 247.51
    n-hexane 23.11
    ethylene glycol 119.58
    NMP 602.93
    cyclohexane 72.81
    DMSO 613.66
    n-butyl acetate 352.83
    n-octanol 161.24
    chloroform 1560.98
    n-propyl acetate 307.92
    acetic acid 289.65
    dichloromethane 1140.77
    cyclohexanone 872.47
    propylene glycol 151.26
    isopropyl acetate 401.1
    DMAc 503.09
    2-ethoxyethanol 313.64
    isopentanol 259.6
    n-heptane 24.21
    ethyl formate 362.89
    1,2-dichloroethane 622.46
    n-hexanol 245.37
    2-methoxyethanol 558.63
    isobutyl acetate 250.59
    tetrachloromethane 312.92
    n-pentyl acetate 304.17
    transcutol 702.11
    n-heptanol 169.29
    ethylbenzene 222.35
    MIBK 353.68
    2-propoxyethanol 488.2
    tert-butanol 311.91
    MTBE 334.83
    2-butoxyethanol 328.78
    propionic acid 299.4
    o-xylene 288.3
    formic acid 150.5
    diethyl ether 354.79
    m-xylene 341.05
    p-xylene 298.22
    chlorobenzene 566.5
    dimethyl carbonate 296.63
    n-octane 14.12
    formamide 249.16
    cyclopentanone 1202.09
    2-pentanone 463.91
    anisole 380.47
    cyclopentyl methyl ether 536.16
    gamma-butyrolactone 1213.82
    1-methoxy-2-propanol 490.57
    pyridine 831.55
    3-pentanone 374.19
    furfural 946.86
    n-dodecane 13.08
    diethylene glycol 383.7
    diisopropyl ether 148.75
    tert-amyl alcohol 209.71
    acetylacetone 618.53
    n-hexadecane 15.89
    acetophenone 360.62
    methyl propionate 401.09
    isopentyl acetate 350.25
    trichloroethylene 1258.51
    n-nonanol 145.5
    cyclohexanol 352.64
    benzyl alcohol 297.73
    2-ethylhexanol 148.92
    isooctanol 150.0
    dipropyl ether 175.93
    1,2-dichlorobenzene 506.66
    ethyl lactate 198.63
    propylene carbonate 640.17
    n-methylformamide 499.54
    2-pentanol 213.11
    n-pentane 35.52
    1-propoxy-2-propanol 332.84
    1-methoxy-2-propyl acetate 435.35
    2-(2-methoxypropoxy) propanol 247.47
    mesitylene 227.22
    ε-caprolactone 701.0
    p-cymene 145.08
    epichlorohydrin 1052.78
    1,1,1-trichloroethane 673.96
    2-aminoethanol 201.72
    morpholine-4-carbaldehyde 799.45
    sulfolane 1002.44
    2,2,4-trimethylpentane 27.35
    2-methyltetrahydrofuran 734.75
    n-hexyl acetate 386.77
    isooctane 28.7
    2-(2-butoxyethoxy)ethanol 322.18
    sec-butyl acetate 248.8
    tert-butyl acetate 395.46
    decalin 44.23
    glycerin 229.56
    diglyme 663.66
    acrylic acid 287.37
    isopropyl myristate 145.7
    n-butyric acid 411.46
    acetyl acetate 411.63
    di(2-ethylhexyl) phthalate 147.35
    ethyl propionate 298.57
    nitromethane 682.6
    1,2-diethoxyethane 286.31
    benzonitrile 494.31
    trioctyl phosphate 119.28
    1-bromopropane 354.29
    gamma-valerolactone 1228.94
    n-decanol 102.88
    triethyl phosphate 145.03
    4-methyl-2-pentanol 161.65
    propionitrile 432.6
    vinylene carbonate 658.66
    1,1,2-trichlorotrifluoroethane 606.45
    DMS 398.97
    cumene 156.32
    2-octanol 126.4
    2-hexanone 295.64
    octyl acetate 176.27
    limonene 157.65
    1,2-dimethoxyethane 617.1
    ethyl orthosilicate 135.98
    tributyl phosphate 140.33
    diacetone alcohol 337.92
    N,N-dimethylaniline 235.92
    acrylonitrile 525.42
    aniline 434.77
    1,3-propanediol 303.74
    bromobenzene 635.52
    dibromomethane 713.91
    1,1,2,2-tetrachloroethane 941.22
    2-methyl-cyclohexyl acetate 229.39
    tetrabutyl urea 160.76
    diisobutyl methanol 115.17
    2-phenylethanol 331.86
    styrene 253.89
    dioctyl adipate 187.81
    dimethyl sulfate 415.82
    ethyl butyrate 249.32
    methyl lactate 260.26
    butyl lactate 250.92
    diethyl carbonate 192.51
    propanediol butyl ether 286.05
    triethyl orthoformate 200.57
    p-tert-butyltoluene 142.33
    methyl 4-tert-butylbenzoate 315.97
    morpholine 804.35
    tert-butylamine 201.55
    n-dodecanol 74.98
    dimethoxymethane 655.45
    ethylene carbonate 595.83
    cyrene 275.81
    2-ethoxyethyl acetate 392.34
    2-ethylhexyl acetate 276.18
    1,2,4-trichlorobenzene 558.75
    4-methylpyridine 769.17
    dibutyl ether 156.14
    2,6-dimethyl-4-heptanol 115.17
    DEF 382.8
    dimethyl isosorbide 466.45
    tetrachloroethylene 648.39
    eugenol 306.56
    triacetin 380.72
    span 80 221.99
    1,4-butanediol 128.45
    1,1-dichloroethane 670.12
    2-methyl-1-pentanol 158.85
    methyl formate 475.68
    2-methyl-1-butanol 234.54
    n-decane 24.54
    butyronitrile 422.08
    3,7-dimethyl-1-octanol 159.57
    1-chlorooctane 114.31
    1-chlorotetradecane 43.73
    n-nonane 21.31
    undecane 17.39
    tert-butylcyclohexane 38.29
    cyclooctane 32.24
    cyclopentanol 424.54
    tetrahydropyran 766.78
    tert-amyl methyl ether 221.95
    2,5,8-trioxanonane 392.73
    1-hexene 89.46
    2-isopropoxyethanol 229.0
    2,2,2-trifluoroethanol 214.18
    methyl butyrate 361.48

    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
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.95%
Carrot seed (Egypt) 1 8015-88-1 Daucus carota L. var. Chantenay, fam. Apiaceae (Umbelliferae) 9.6%
Carrot seed (Egypt) 2 8015-88-1 Daucus carota L. var. Nantes, fam. Apiaceae (Umbelliferae) 8.8%
Carrot seed (France) 4 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.25%
Carrot seed (France) 3 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 1.06%
Carrot seed (Pakistan) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 5.77%
Carrot seed (Germany) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 1.35%
Carrot seed 2 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 1.0%