acorenone B

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    21653-33-8

    Molecular formula
    C15H24O

    SMILES
    C[C@H]1CC[C@H]([C@@]12CC=C(C(=O)C2)C)C(C)C

  • Odor profile

    Woody 79.92%
    Spicy 48.2%
    Dry 44.5%
    Cedar 40.89%
    Amber 39.4%
    Herbal 38.2%
    Orris 33.02%
    Fresh 31.58%
    Tobacco 31.17%
    Mint 30.62%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point est.
    110.04 ˚C

  • Synonyms

    • acorenone B
    • 21653-33-8
    • (1S,4S,5R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
    • (+)-Acorenone B
    • 1,4-cis-1,7-cis-Acorenone
    • HBTHUBMUAHAWBC-KCQAQPDRSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 507.96
    methanol 383.71
    isopropanol 676.02
    water 1.36
    ethyl acetate 742.45
    n-propanol 528.57
    acetone 798.76
    n-butanol 573.29
    acetonitrile 581.57
    DMF 783.45
    toluene 1020.74
    isobutanol 454.61
    1,4-dioxane 1475.16
    methyl acetate 601.13
    THF 1949.41
    2-butanone 750.64
    n-pentanol 201.17
    sec-butanol 343.2
    n-hexane 39.95
    ethylene glycol 52.15
    NMP 479.37
    cyclohexane 191.55
    DMSO 275.89
    n-butyl acetate 546.84
    n-octanol 143.49
    chloroform 2127.78
    n-propyl acetate 323.18
    acetic acid 239.16
    dichloromethane 1520.63
    cyclohexanone 1077.24
    propylene glycol 84.68
    isopropyl acetate 619.18
    DMAc 537.24
    2-ethoxyethanol 253.63
    isopentanol 512.61
    n-heptane 35.27
    ethyl formate 382.74
    1,2-dichloroethane 911.79
    n-hexanol 402.32
    2-methoxyethanol 563.06
    isobutyl acetate 266.58
    tetrachloromethane 359.42
    n-pentyl acetate 293.1
    transcutol 981.94
    n-heptanol 178.69
    ethylbenzene 324.5
    MIBK 465.89
    2-propoxyethanol 552.89
    tert-butanol 588.29
    MTBE 698.17
    2-butoxyethanol 303.77
    propionic acid 250.73
    o-xylene 452.41
    formic acid 62.78
    diethyl ether 768.13
    m-xylene 590.46
    p-xylene 428.56
    chlorobenzene 821.24
    dimethyl carbonate 236.56
    n-octane 17.35
    formamide 132.06
    cyclopentanone 1093.77
    2-pentanone 683.04
    anisole 511.12
    cyclopentyl methyl ether 680.89
    gamma-butyrolactone 944.1
    1-methoxy-2-propanol 552.71
    pyridine 1174.33
    3-pentanone 493.41
    furfural 702.11
    n-dodecane 14.98
    diethylene glycol 296.42
    diisopropyl ether 243.79
    tert-amyl alcohol 308.12
    acetylacetone 697.24
    n-hexadecane 18.31
    acetophenone 400.57
    methyl propionate 483.52
    isopentyl acetate 528.85
    trichloroethylene 1561.52
    n-nonanol 136.66
    cyclohexanol 491.16
    benzyl alcohol 331.54
    2-ethylhexanol 213.95
    isooctanol 154.32
    dipropyl ether 250.0
    1,2-dichlorobenzene 627.62
    ethyl lactate 125.82
    propylene carbonate 549.6
    n-methylformamide 308.43
    2-pentanol 350.89
    n-pentane 71.37
    1-propoxy-2-propanol 408.74
    1-methoxy-2-propyl acetate 535.32
    2-(2-methoxypropoxy) propanol 258.93
    mesitylene 350.84
    ε-caprolactone 802.27
    p-cymene 183.1
    epichlorohydrin 1138.85
    1,1,1-trichloroethane 1095.36
    2-aminoethanol 147.09
    morpholine-4-carbaldehyde 686.41
    sulfolane 590.73
    2,2,4-trimethylpentane 38.08
    2-methyltetrahydrofuran 1035.88
    n-hexyl acetate 383.01
    isooctane 40.28
    2-(2-butoxyethoxy)ethanol 358.14
    sec-butyl acetate 293.84
    tert-butyl acetate 536.49
    decalin 66.82
    glycerin 112.44
    diglyme 700.27
    acrylic acid 194.59
    isopropyl myristate 159.85
    n-butyric acid 548.25
    acetyl acetate 471.1
    di(2-ethylhexyl) phthalate 147.93
    ethyl propionate 331.39
    nitromethane 461.79
    1,2-diethoxyethane 461.89
    benzonitrile 577.39
    trioctyl phosphate 102.04
    1-bromopropane 624.05
    gamma-valerolactone 1178.31
    n-decanol 96.99
    triethyl phosphate 135.25
    4-methyl-2-pentanol 249.15
    propionitrile 630.31
    vinylene carbonate 552.74
    1,1,2-trichlorotrifluoroethane 443.13
    DMS 360.88
    cumene 206.24
    2-octanol 120.23
    2-hexanone 309.55
    octyl acetate 183.1
    limonene 211.55
    1,2-dimethoxyethane 613.94
    ethyl orthosilicate 140.76
    tributyl phosphate 124.3
    diacetone alcohol 412.8
    N,N-dimethylaniline 285.53
    acrylonitrile 605.05
    aniline 706.11
    1,3-propanediol 322.08
    bromobenzene 918.07
    dibromomethane 1014.99
    1,1,2,2-tetrachloroethane 1193.26
    2-methyl-cyclohexyl acetate 257.62
    tetrabutyl urea 142.47
    diisobutyl methanol 148.83
    2-phenylethanol 408.4
    styrene 390.54
    dioctyl adipate 196.36
    dimethyl sulfate 242.19
    ethyl butyrate 332.66
    methyl lactate 181.65
    butyl lactate 198.57
    diethyl carbonate 221.22
    propanediol butyl ether 220.67
    triethyl orthoformate 226.14
    p-tert-butyltoluene 187.43
    methyl 4-tert-butylbenzoate 323.82
    morpholine 1354.29
    tert-butylamine 422.29
    n-dodecanol 72.49
    dimethoxymethane 681.32
    ethylene carbonate 501.47
    cyrene 232.2
    2-ethoxyethyl acetate 431.98
    2-ethylhexyl acetate 386.22
    1,2,4-trichlorobenzene 644.09
    4-methylpyridine 1209.68
    dibutyl ether 189.58
    2,6-dimethyl-4-heptanol 148.83
    DEF 509.96
    dimethyl isosorbide 482.4
    tetrachloroethylene 776.74
    eugenol 290.6
    triacetin 313.72
    span 80 227.36
    1,4-butanediol 81.62
    1,1-dichloroethane 1134.45
    2-methyl-1-pentanol 208.53
    methyl formate 251.02
    2-methyl-1-butanol 389.42
    n-decane 26.07
    butyronitrile 685.08
    3,7-dimethyl-1-octanol 170.75
    1-chlorooctane 121.36
    1-chlorotetradecane 50.47
    n-nonane 23.35
    undecane 19.0
    tert-butylcyclohexane 55.77
    cyclooctane 54.84
    cyclopentanol 433.8
    tetrahydropyran 1494.38
    tert-amyl methyl ether 335.74
    2,5,8-trioxanonane 408.22
    1-hexene 153.38
    2-isopropoxyethanol 215.17
    2,2,2-trifluoroethanol 122.88
    methyl butyrate 392.12

    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
Calamus (Turkey) Acorus calamus L., fam. Araceae 0.2%
Elionurus elegans aerial parts Elionurus elegans Kunth (African Pasture Grass), fam. Poaceae (Gramineae) 0.2%