Carvotanacetone

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  • Identifiers

    CAS number
    499-71-8

    Molecular formula
    C10H16O

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

    Retention indicies (RI)

    • DB5: 1245.5
    • Carbowax: 1665.0

  • Odor profile

    Mint 76.59%
    Herbal 68.51%
    Camphoreous 54.15%
    Spicy 49.53%
    Woody 47.36%
    Cooling 40.76%
    Fresh 38.24%
    Phenolic 35.39%
    Sweet 32.95%
    Tobacco 29.75%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point est.
    80.96 ˚C

  • Synonyms

    • Carvotanacetone
    • 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-
    • (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
    • p-Menth-6-en-2-one, (S)-(+)-
    • 499-71-8
    • (+)-Carvotanacetone
    • Carvotanacetone, (+)-
    • SCHEMBL11902533
    • CHEBI:171922
    • WPGPCDVQHXOMQP-VIFPVBQESA-N
    • (A+/-)-p-menth-6-en-2-one

  • Applications

    Carvotanacetone (CAS 499-71-8) is a monoterpenoid ketone occurring in certain essential oils (notably from Artemisia/Tanacetum) and is used mainly in research and aroma-related industries: as an analytical reference for GC–MS/LC and essential-oil quality control, a chemotaxonomic/source-identification marker, and a reported fragrance modifier with herbaceous–camphoraceous character; in organic chemistry it serves as a building block/intermediate to access monoterpene derivatives and aroma materials, and it has been investigated for bioactivities such as antimicrobial, insecticidal/repellent, and antioxidant effects to support screening of nature-derived crop protection agents; additionally, carvotanacetone is employed as a model compound for studies on metabolism, stability, microencapsulation, and controlled release in food–cosmetic matrices, for calibrating odor/VOC sensors, and as a potency standard in pharmacognostic testing of essential-oil–rich botanicals, with adherence to exposure safety limits and region-specific regulatory requirements.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 246.41
    methanol 163.92
    isopropanol 302.74
    water 1.03
    ethyl acetate 205.88
    n-propanol 244.52
    acetone 194.11
    n-butanol 252.09
    acetonitrile 284.56
    DMF 256.95
    toluene 233.57
    isobutanol 199.8
    1,4-dioxane 513.33
    methyl acetate 239.56
    THF 376.35
    2-butanone 269.83
    n-pentanol 152.58
    sec-butanol 248.43
    n-hexane 31.86
    ethylene glycol 39.9
    NMP 175.18
    cyclohexane 66.58
    DMSO 139.13
    n-butyl acetate 242.9
    n-octanol 143.58
    chloroform 890.17
    n-propyl acetate 119.95
    acetic acid 142.28
    dichloromethane 564.38
    cyclohexanone 327.65
    propylene glycol 75.8
    isopropyl acetate 119.28
    DMAc 239.93
    2-ethoxyethanol 150.83
    isopentanol 208.19
    n-heptane 33.61
    ethyl formate 152.57
    1,2-dichloroethane 268.81
    n-hexanol 265.88
    2-methoxyethanol 252.15
    isobutyl acetate 90.98
    tetrachloromethane 151.53
    n-pentyl acetate 140.94
    transcutol 548.99
    n-heptanol 138.64
    ethylbenzene 136.79
    MIBK 117.07
    2-propoxyethanol 275.64
    tert-butanol 321.34
    MTBE 216.24
    2-butoxyethanol 188.71
    propionic acid 160.98
    o-xylene 145.49
    formic acid 42.9
    diethyl ether 180.46
    m-xylene 141.65
    p-xylene 185.14
    chlorobenzene 248.17
    dimethyl carbonate 56.5
    n-octane 17.4
    formamide 79.7
    cyclopentanone 275.46
    2-pentanone 168.19
    anisole 197.02
    cyclopentyl methyl ether 144.86
    gamma-butyrolactone 267.74
    1-methoxy-2-propanol 228.71
    pyridine 500.48
    3-pentanone 130.59
    furfural 313.66
    n-dodecane 16.43
    diethylene glycol 165.14
    diisopropyl ether 60.29
    tert-amyl alcohol 240.55
    acetylacetone 151.24
    n-hexadecane 19.13
    acetophenone 167.06
    methyl propionate 139.69
    isopentyl acetate 214.29
    trichloroethylene 570.26
    n-nonanol 124.58
    cyclohexanol 205.17
    benzyl alcohol 167.75
    2-ethylhexanol 163.32
    isooctanol 111.36
    dipropyl ether 121.25
    1,2-dichlorobenzene 210.75
    ethyl lactate 68.82
    propylene carbonate 190.87
    n-methylformamide 132.19
    2-pentanol 159.53
    n-pentane 34.66
    1-propoxy-2-propanol 237.65
    1-methoxy-2-propyl acetate 181.31
    2-(2-methoxypropoxy) propanol 182.29
    mesitylene 88.5
    ε-caprolactone 272.6
    p-cymene 100.65
    epichlorohydrin 331.1
    1,1,1-trichloroethane 381.06
    2-aminoethanol 107.19
    morpholine-4-carbaldehyde 272.31
    sulfolane 194.81
    2,2,4-trimethylpentane 22.53
    2-methyltetrahydrofuran 304.13
    n-hexyl acetate 203.21
    isooctane 19.76
    2-(2-butoxyethoxy)ethanol 230.86
    sec-butyl acetate 95.58
    tert-butyl acetate 120.6
    decalin 37.33
    glycerin 86.64
    diglyme 368.06
    acrylic acid 126.51
    isopropyl myristate 84.14
    n-butyric acid 240.18
    acetyl acetate 122.61
    di(2-ethylhexyl) phthalate 91.97
    ethyl propionate 107.55
    nitromethane 221.92
    1,2-diethoxyethane 223.98
    benzonitrile 300.8
    trioctyl phosphate 60.22
    1-bromopropane 225.87
    gamma-valerolactone 373.09
    n-decanol 91.91
    triethyl phosphate 76.71
    4-methyl-2-pentanol 108.42
    propionitrile 269.23
    vinylene carbonate 206.76
    1,1,2-trichlorotrifluoroethane 215.62
    DMS 132.5
    cumene 97.58
    2-octanol 104.33
    2-hexanone 145.36
    octyl acetate 106.04
    limonene 122.02
    1,2-dimethoxyethane 258.06
    ethyl orthosilicate 77.63
    tributyl phosphate 71.21
    diacetone alcohol 153.46
    N,N-dimethylaniline 134.36
    acrylonitrile 291.31
    aniline 238.07
    1,3-propanediol 168.26
    bromobenzene 265.92
    dibromomethane 418.78
    1,1,2,2-tetrachloroethane 464.38
    2-methyl-cyclohexyl acetate 138.21
    tetrabutyl urea 88.35
    diisobutyl methanol 95.89
    2-phenylethanol 210.28
    styrene 156.2
    dioctyl adipate 114.35
    dimethyl sulfate 71.87
    ethyl butyrate 149.38
    methyl lactate 77.33
    butyl lactate 112.61
    diethyl carbonate 112.7
    propanediol butyl ether 166.03
    triethyl orthoformate 114.34
    p-tert-butyltoluene 98.13
    methyl 4-tert-butylbenzoate 160.68
    morpholine 516.98
    tert-butylamine 210.88
    n-dodecanol 71.44
    dimethoxymethane 143.18
    ethylene carbonate 163.25
    cyrene 126.95
    2-ethoxyethyl acetate 182.8
    2-ethylhexyl acetate 176.21
    1,2,4-trichlorobenzene 244.14
    4-methylpyridine 437.05
    dibutyl ether 125.36
    2,6-dimethyl-4-heptanol 95.89
    DEF 151.5
    dimethyl isosorbide 250.29
    tetrachloroethylene 283.33
    eugenol 160.79
    triacetin 161.86
    span 80 166.6
    1,4-butanediol 63.77
    1,1-dichloroethane 386.59
    2-methyl-1-pentanol 151.82
    methyl formate 91.92
    2-methyl-1-butanol 187.59
    n-decane 25.71
    butyronitrile 291.07
    3,7-dimethyl-1-octanol 137.2
    1-chlorooctane 89.36
    1-chlorotetradecane 40.52
    n-nonane 23.53
    undecane 19.95
    tert-butylcyclohexane 36.03
    cyclooctane 23.45
    cyclopentanol 185.06
    tetrahydropyran 401.67
    tert-amyl methyl ether 137.28
    2,5,8-trioxanonane 263.13
    1-hexene 109.65
    2-isopropoxyethanol 126.97
    2,2,2-trifluoroethanol 60.68
    methyl butyrate 135.73

    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
Atractylis Atractylodes lancea (Thunb.) DC. (A. ovata Thunb.; A. chinensis (Bunge)DC) 0.1%
Cymbopogon microstachys Cymbopogon microstachys (Hook. f.) S. Soenarko, fam. Poaceae (Gramineae) 0.1%
Elemi 1 8023-89-0 Canarium luzonicum (Miq.) A. Gray, (C. luzonicum (Blume) A.Gray) 0.1%
Ginger (India) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%
Cistus (Spain) 1 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.5%
Schinus molle 68917-52-2 Schinus molle L., fam. Anarcadiaceae 0.1%
Wormwood (Mugwort) (Spain) 1 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 1.2%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.21%
Pepper, black 3 8006-82-4 Piper nigrum L., fam. Piperaceae 0.01%
Bitter orange leaf 3 (Petitgrain) 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.05%
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Eucalyptus globulus (China) 2 fruit 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.24%
Eucalyptus globulus (Algeria) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Dill herb (Reunion Island) 8006-75-5 Anethum graveolens L., fam. Apiaceae (Umbelliferae) 0.1%
Grapefruit (Cuba), distilled 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.1%
Pistacia lentiscus (Spain) 3 whole plant 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.1%
Cubeb 2 8007-87-2 Piper cubeba L., fam. Piperaceae 1.0%
Eucalyptus globulus (Spain) 2c mature fruits 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.16%
Eucalyptus globulus (Yugoslavia) 1c branches 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.05%
Eucalyptus dives (Rwanda) 90028-48-1 Eucalyptus dives Schau., fam. Myrtaceae 0.01%
Licaria salicifolia Licaria salicifolia (Sw.) Kosterm., fam. Lauraceae 0.5%
Mentha longifolia (Iran) 2 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.1%
Salvia pomifera Salvia pomifera L. ssp. calycina (Sm.) Hayek, fam. Lamiaceae (Labiatae) 0.01%
Eucalyptus resinifera (Cuba) Eucalyptus resinifera Smith, fam. Myrtaceae 0.01%
Eucalyptus tereticornis (Cuba) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.01%