Carotol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    465-28-1

    Molecular formula
    C15H26O

    SMILES
    CC1=CC[C@]2(CC[C@@H]([C@]2(CC1)O)C(C)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1599.33

  • Odor profile

    Herbal 71.04%
    Earthy 58.99%
    Woody 56.57%
    Spicy 55.71%
    Green 54.75%
    Mint 53.57%
    Fresh 49.84%
    Camphoreous 48.12%
    Cooling 43.29%
    Musty 40.58%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    295°C

    Flash point est.
    102.42 ˚C

  • Synonyms

    • Carotol
    • (+)-Carotol
    • 465-28-1
    • (+)-8-Daucen-5-ol
    • NT5C9M36DE
    • Carotol, (+)-
    • CAROTOL [MI]
    • DTXSID101318114
    • (3R,3aS,8aR)-6,8a-dimethyl-3-propan-2-yl-1,2,3,4,5,8-hexahydroazulen-3a-ol
    • (3R,3AS,8AR)-2,3,4,5,8,8A-HEXAHYDRO-6,8A-DIMETHYL-3-(1-METHYLETHYL)-3A(1H)-AZULENOL
    • 3A(1H)-AZULENOL, 2,3,4,5,8,8A-HEXAHYDRO-6,8A-DIMETHYL-3-(1-METHYLETHYL)-, (3R,3AS,8AR)-
    • 3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, (3R-(3alpha,3aalpha,8aalpha))-
    • UNII-NT5C9M36DE
    • CHEBI:3431
    • SCHEMBL6514107
    • DTXCID101747903
    • LMPR0103550001
    • 3aalpha(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-3alpha-isopropyl-6,8aalpha-dimethyl-, (+)-
    • FC174952
    • NS00113997
    • C09628
    • Q5045553
    • 866-557-4

  • Applications

    Carotol (CAS 465-28-1) is a natural sesquiterpene alcohol and a major constituent of carrot seed essential oil, with applications across fragrance, flavor, analytics, and research: in perfumery and personal care it contributes carrot/earthy/woody-herbal facets and serves as a high-boiling modifier and fixative in chypre, fougère, woody and spicy accords as well as root-inspired natural profiles; in flavor creation it is used at trace levels to impart earthy, root-vegetable nuances to soups, seasoning blends and beverages; in analytical workflows carotol is employed as a GC-MS/GC-FID reference and as a chemical marker for carrot seed oil authentication and traceability; in biological studies it has been investigated for antifungal/antibacterial, insect-repellent and postharvest protection potentials; in synthetic chemistry it functions as a convenient sesquiterpene scaffold for preparing new natural-product-like derivatives.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 646.15
    methanol 651.95
    isopropanol 749.49
    water 3.07
    ethyl acetate 724.02
    n-propanol 683.3
    acetone 924.28
    n-butanol 677.08
    acetonitrile 650.55
    DMF 1301.64
    toluene 915.8
    isobutanol 592.62
    1,4-dioxane 1831.31
    methyl acetate 634.92
    THF 2382.07
    2-butanone 809.76
    n-pentanol 370.16
    sec-butanol 523.05
    n-hexane 144.5
    ethylene glycol 85.16
    NMP 642.41
    cyclohexane 318.43
    DMSO 514.79
    n-butyl acetate 659.15
    n-octanol 375.45
    chloroform 2137.33
    n-propyl acetate 446.1
    acetic acid 336.01
    dichloromethane 1327.16
    cyclohexanone 1198.06
    propylene glycol 131.78
    isopropyl acetate 677.39
    DMAc 829.69
    2-ethoxyethanol 481.14
    isopentanol 635.0
    n-heptane 131.68
    ethyl formate 439.69
    1,2-dichloroethane 808.4
    n-hexanol 653.03
    2-methoxyethanol 779.39
    isobutyl acetate 416.82
    tetrachloromethane 541.96
    n-pentyl acetate 541.95
    transcutol 1433.91
    n-heptanol 411.82
    ethylbenzene 452.9
    MIBK 612.74
    2-propoxyethanol 812.03
    tert-butanol 815.42
    MTBE 1017.61
    2-butoxyethanol 618.54
    propionic acid 329.53
    o-xylene 545.04
    formic acid 104.03
    diethyl ether 946.18
    m-xylene 638.15
    p-xylene 599.69
    chlorobenzene 757.78
    dimethyl carbonate 328.51
    n-octane 65.55
    formamide 200.33
    cyclopentanone 1309.45
    2-pentanone 787.17
    anisole 699.68
    cyclopentyl methyl ether 924.99
    gamma-butyrolactone 1021.35
    1-methoxy-2-propanol 729.6
    pyridine 1242.9
    3-pentanone 588.21
    furfural 893.27
    n-dodecane 46.54
    diethylene glycol 443.36
    diisopropyl ether 410.48
    tert-amyl alcohol 555.18
    acetylacetone 880.06
    n-hexadecane 55.85
    acetophenone 540.65
    methyl propionate 514.61
    isopentyl acetate 713.0
    trichloroethylene 1457.63
    n-nonanol 332.79
    cyclohexanol 597.86
    benzyl alcohol 435.59
    2-ethylhexanol 398.13
    isooctanol 361.29
    dipropyl ether 510.8
    1,2-dichlorobenzene 659.53
    ethyl lactate 211.34
    propylene carbonate 635.85
    n-methylformamide 459.13
    2-pentanol 469.9
    n-pentane 174.68
    1-propoxy-2-propanol 612.62
    1-methoxy-2-propyl acetate 686.41
    2-(2-methoxypropoxy) propanol 447.35
    mesitylene 480.84
    ε-caprolactone 885.62
    p-cymene 308.71
    epichlorohydrin 1182.06
    1,1,1-trichloroethane 1114.51
    2-aminoethanol 213.3
    morpholine-4-carbaldehyde 1008.53
    sulfolane 845.41
    2,2,4-trimethylpentane 96.3
    2-methyltetrahydrofuran 1251.51
    n-hexyl acetate 707.28
    isooctane 102.73
    2-(2-butoxyethoxy)ethanol 618.84
    sec-butyl acetate 394.86
    tert-butyl acetate 741.52
    decalin 147.16
    glycerin 197.37
    diglyme 1243.3
    acrylic acid 262.36
    isopropyl myristate 302.83
    n-butyric acid 597.64
    acetyl acetate 512.42
    di(2-ethylhexyl) phthalate 238.05
    ethyl propionate 432.05
    nitromethane 637.01
    1,2-diethoxyethane 711.18
    benzonitrile 703.99
    trioctyl phosphate 194.43
    1-bromopropane 681.96
    gamma-valerolactone 1479.71
    n-decanol 235.92
    triethyl phosphate 229.28
    4-methyl-2-pentanol 375.68
    propionitrile 767.2
    vinylene carbonate 683.36
    1,1,2-trichlorotrifluoroethane 632.05
    DMS 483.19
    cumene 341.12
    2-octanol 307.18
    2-hexanone 493.61
    octyl acetate 337.79
    limonene 370.03
    1,2-dimethoxyethane 1133.68
    ethyl orthosilicate 242.13
    tributyl phosphate 216.88
    diacetone alcohol 577.31
    N,N-dimethylaniline 468.52
    acrylonitrile 712.29
    aniline 683.39
    1,3-propanediol 413.48
    bromobenzene 866.84
    dibromomethane 918.69
    1,1,2,2-tetrachloroethane 1254.62
    2-methyl-cyclohexyl acetate 397.39
    tetrabutyl urea 260.46
    diisobutyl methanol 289.97
    2-phenylethanol 557.25
    styrene 508.36
    dioctyl adipate 328.78
    dimethyl sulfate 401.03
    ethyl butyrate 456.43
    methyl lactate 252.3
    butyl lactate 348.19
    diethyl carbonate 320.42
    propanediol butyl ether 443.02
    triethyl orthoformate 372.16
    p-tert-butyltoluene 325.7
    methyl 4-tert-butylbenzoate 545.08
    morpholine 1546.93
    tert-butylamine 632.02
    n-dodecanol 175.72
    dimethoxymethane 963.3
    ethylene carbonate 628.25
    cyrene 370.75
    2-ethoxyethyl acetate 612.44
    2-ethylhexyl acetate 555.23
    1,2,4-trichlorobenzene 697.93
    4-methylpyridine 1277.16
    dibutyl ether 456.48
    2,6-dimethyl-4-heptanol 289.97
    DEF 671.5
    dimethyl isosorbide 718.02
    tetrachloroethylene 889.03
    eugenol 471.62
    triacetin 517.6
    span 80 396.19
    1,4-butanediol 152.76
    1,1-dichloroethane 1034.5
    2-methyl-1-pentanol 362.58
    methyl formate 371.05
    2-methyl-1-butanol 534.69
    n-decane 85.52
    butyronitrile 837.08
    3,7-dimethyl-1-octanol 373.55
    1-chlorooctane 279.22
    1-chlorotetradecane 114.23
    n-nonane 82.27
    undecane 60.81
    tert-butylcyclohexane 142.44
    cyclooctane 135.78
    cyclopentanol 605.41
    tetrahydropyran 1607.14
    tert-amyl methyl ether 548.0
    2,5,8-trioxanonane 716.87
    1-hexene 357.63
    2-isopropoxyethanol 390.9
    2,2,2-trifluoroethanol 177.7
    methyl butyrate 517.04

    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 leaf (India) 8015-88-1 Daucus carota L. var. sativa, fam. Apiaceae (Umbelliferae) 9.84%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 23.56%
Carrot seed (France) 2 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 18.28%
Parsley seed (Egypt) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.14%
Carrot seed (Egypt) 1 8015-88-1 Daucus carota L. var. Chantenay, fam. Apiaceae (Umbelliferae) 67.2%
Carrot seed (Egypt) 2 8015-88-1 Daucus carota L. var. Nantes, fam. Apiaceae (Umbelliferae) 65.85%
Carrot seed (France) 4 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 32.72%
Carrot seed (France) 3 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 18.29%
Carrot seed (Pakistan) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 67.24%
Carrot seed 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 19.26%
Carrot seed (Germany) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 25.0%
Carrot seed 2 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 20.0%
Parsley leaf (Germany), 1b (smooth leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.01%
Parsley leaf (Germany), 1a (curly leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.8%
Cumin (Egypt) 3 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.5%
Fitweed seed Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 19.31%
Parsley herb (Cuba) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 1.42%
Wartara (India) 2 seed Zanthoxylum armatum DC. (Z. alatum Roxb.), fam. Rutaceae 0.01%
Kohlrabi, green (seed) Brassica oleraceae var. gongylodes, fam. Brassicaceae (Cruciferae) 0.1%
Metrosideros robusta leaf Metrosideros robusta A. Cunn., fam. Myrtaceae 0.8%