Isoacolamone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    39012-15-2

    Molecular formula
    C15H24O

    SMILES
    CC1=CCC[C@]2([C@H]1C(=O)[C@@H](CC2)C(C)C)C

  • Odor profile

    Woody 74.07%
    Herbal 65.79%
    Spicy 56.09%
    Mint 51.74%
    Camphoreous 51.25%
    Fresh 41.7%
    Pine 38.64%
    Cedar 38.13%
    Tobacco 37.45%
    Dry 36.33%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    290°C

    Flash point est.
    121.52 ˚C

  • Synonyms

    • Isoacolamone
    • UNII-G6Z260XW5R
    • G6Z260XW5R
    • 39012-15-2
    • DTXSID10192288
    • 1(2H)-NAPHTHALENONE, 3,4,4A,5,6,8A-HEXAHYDRO-4A,8-DIMETHYL-2-(1-METHYLETHYL)-, (2S,4AR,8AR)-
    • 1(2H)-NAPHTHALENONE, 3,4,4A,5,6,8A-HEXAHYDRO-4A,8-DIMETHYL-2-(1-METHYLETHYL)-, (2S-(2.ALPHA.,4A.ALPHA.,8A.BETA.))-
    • DTXCID20114779
    • CHEBI:195970
    • Q27278860
    • (2S,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-one
    • 1(2H)-NAPHTHALENONE, 3,4,4A,5,6,8A-HEXAHYDRO-4A,8-DIMETHYL-2-(1-METHYLETHYL)-, (2S-(2ALPHA,4AALPHA,8ABETA))-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 342.63
    methanol 362.94
    isopropanol 371.64
    water 0.51
    ethyl acetate 340.62
    n-propanol 354.48
    acetone 426.44
    n-butanol 371.95
    acetonitrile 469.42
    DMF 454.27
    toluene 761.51
    isobutanol 286.17
    1,4-dioxane 1111.83
    methyl acetate 336.0
    THF 1490.07
    2-butanone 439.04
    n-pentanol 224.81
    sec-butanol 281.78
    n-hexane 85.05
    ethylene glycol 27.55
    NMP 523.32
    cyclohexane 284.31
    DMSO 179.45
    n-butyl acetate 445.73
    n-octanol 200.75
    chloroform 1945.84
    n-propyl acetate 233.43
    acetic acid 220.36
    dichloromethane 1251.2
    cyclohexanone 957.42
    propylene glycol 50.49
    isopropyl acetate 255.71
    DMAc 304.96
    2-ethoxyethanol 166.58
    isopentanol 333.47
    n-heptane 87.65
    ethyl formate 272.4
    1,2-dichloroethane 611.21
    n-hexanol 446.13
    2-methoxyethanol 297.67
    isobutyl acetate 197.65
    tetrachloromethane 297.63
    n-pentyl acetate 282.79
    transcutol 717.52
    n-heptanol 212.19
    ethylbenzene 262.92
    MIBK 269.38
    2-propoxyethanol 431.33
    tert-butanol 354.16
    MTBE 366.76
    2-butoxyethanol 241.26
    propionic acid 209.68
    o-xylene 335.2
    formic acid 53.23
    diethyl ether 460.23
    m-xylene 460.53
    p-xylene 340.37
    chlorobenzene 728.94
    dimethyl carbonate 111.87
    n-octane 34.76
    formamide 85.36
    cyclopentanone 840.74
    2-pentanone 376.52
    anisole 317.19
    cyclopentyl methyl ether 566.89
    gamma-butyrolactone 750.06
    1-methoxy-2-propanol 263.99
    pyridine 1054.32
    3-pentanone 283.74
    furfural 588.11
    n-dodecane 26.86
    diethylene glycol 201.91
    diisopropyl ether 155.88
    tert-amyl alcohol 247.51
    acetylacetone 332.6
    n-hexadecane 32.21
    acetophenone 289.39
    methyl propionate 246.66
    isopentyl acetate 422.15
    trichloroethylene 1275.65
    n-nonanol 175.72
    cyclohexanol 514.15
    benzyl alcohol 284.7
    2-ethylhexanol 268.51
    isooctanol 173.56
    dipropyl ether 264.13
    1,2-dichlorobenzene 515.71
    ethyl lactate 101.74
    propylene carbonate 442.98
    n-methylformamide 225.59
    2-pentanol 249.85
    n-pentane 103.75
    1-propoxy-2-propanol 351.4
    1-methoxy-2-propyl acetate 343.66
    2-(2-methoxypropoxy) propanol 226.12
    mesitylene 272.74
    ε-caprolactone 669.95
    p-cymene 201.78
    epichlorohydrin 802.06
    1,1,1-trichloroethane 767.1
    2-aminoethanol 86.57
    morpholine-4-carbaldehyde 534.47
    sulfolane 493.94
    2,2,4-trimethylpentane 45.89
    2-methyltetrahydrofuran 927.02
    n-hexyl acetate 393.71
    isooctane 44.85
    2-(2-butoxyethoxy)ethanol 304.5
    sec-butyl acetate 178.9
    tert-butyl acetate 271.25
    decalin 89.2
    glycerin 64.5
    diglyme 507.12
    acrylic acid 169.78
    isopropyl myristate 155.16
    n-butyric acid 385.47
    acetyl acetate 230.77
    di(2-ethylhexyl) phthalate 155.84
    ethyl propionate 198.37
    nitromethane 333.76
    1,2-diethoxyethane 363.34
    benzonitrile 583.97
    trioctyl phosphate 110.31
    1-bromopropane 539.95
    gamma-valerolactone 893.9
    n-decanol 125.78
    triethyl phosphate 124.1
    4-methyl-2-pentanol 163.91
    propionitrile 474.65
    vinylene carbonate 441.61
    1,1,2-trichlorotrifluoroethane 354.56
    DMS 248.07
    cumene 173.91
    2-octanol 155.48
    2-hexanone 271.13
    octyl acetate 192.32
    limonene 263.16
    1,2-dimethoxyethane 400.62
    ethyl orthosilicate 127.74
    tributyl phosphate 130.92
    diacetone alcohol 244.07
    N,N-dimethylaniline 203.94
    acrylonitrile 461.0
    aniline 511.47
    1,3-propanediol 168.07
    bromobenzene 815.64
    dibromomethane 934.69
    1,1,2,2-tetrachloroethane 889.38
    2-methyl-cyclohexyl acetate 256.13
    tetrabutyl urea 161.72
    diisobutyl methanol 146.39
    2-phenylethanol 386.14
    styrene 319.21
    dioctyl adipate 190.35
    dimethyl sulfate 129.05
    ethyl butyrate 254.93
    methyl lactate 103.28
    butyl lactate 199.12
    diethyl carbonate 175.09
    propanediol butyl ether 213.06
    triethyl orthoformate 196.27
    p-tert-butyltoluene 194.6
    methyl 4-tert-butylbenzoate 266.85
    morpholine 1089.4
    tert-butylamine 286.27
    n-dodecanol 93.34
    dimethoxymethane 338.06
    ethylene carbonate 390.82
    cyrene 219.07
    2-ethoxyethyl acetate 323.87
    2-ethylhexyl acetate 347.22
    1,2,4-trichlorobenzene 558.84
    4-methylpyridine 1019.97
    dibutyl ether 230.31
    2,6-dimethyl-4-heptanol 146.39
    DEF 322.68
    dimethyl isosorbide 427.82
    tetrachloroethylene 589.73
    eugenol 236.15
    triacetin 262.16
    span 80 237.93
    1,4-butanediol 67.09
    1,1-dichloroethane 782.5
    2-methyl-1-pentanol 226.15
    methyl formate 199.32
    2-methyl-1-butanol 292.92
    n-decane 48.61
    butyronitrile 552.81
    3,7-dimethyl-1-octanol 189.57
    1-chlorooctane 176.5
    1-chlorotetradecane 68.33
    n-nonane 46.86
    undecane 35.3
    tert-butylcyclohexane 69.26
    cyclooctane 90.6
    cyclopentanol 435.99
    tetrahydropyran 1317.62
    tert-amyl methyl ether 227.7
    2,5,8-trioxanonane 326.68
    1-hexene 231.97
    2-isopropoxyethanol 149.97
    2,2,2-trifluoroethanol 81.73
    methyl butyrate 257.12

    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 (China) 1a leaf 8015-79-0 Acorus calamus L., fam. Araceae 3.62%
Calamus (China) 1b rhizome 8015-79-0 Acorus calamus L., fam. Araceae 3.25%