Acoragermacrone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    50281-45-3

    Molecular formula
    C15H24O

    SMILES
    C/C/1=C\CC/C(=C/C(=O)[C@@H](CC1)C(C)C)/C

  • Odor profile

    Herbal 82.22%
    Mint 74.15%
    Spicy 56.99%
    Camphoreous 51.33%
    Woody 50.67%
    Fresh 47.97%
    Citrus 38.2%
    Tobacco 37.72%
    Cooling 37.15%
    Celery 32.74%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Flash point est.
    117.64 ˚C

  • Synonyms

    • Acoragermacrone
    • 50281-45-3
    • UNII-VTN7095NH0
    • VTN7095NH0
    • 2,6-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethyl)-, (S-(E,E))-
    • Hexanamide,n-(3-ethylphenyl)-
    • CHEBI:195990
    • DTXSID101163585
    • DB-265191
    • DB-278459
    • Q27292014
    • (10S,2E, 6E)-3,7-DIMETHYL-10-ISOPROPYL-2,6-CYCLODECADIEN-1-ONE
    • (2E,6E,10S)-3,7-Dimethyl-10-(1-methylethyl)-2,6-cyclodecadien-1-one
    • (2E,6E,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-one
    • 2,6-CYCLODECADIEN-1-ONE, 3,7-DIMETHYL-10-(1-METHYLETHYL)-, (2E,6E,10S)-
    • 541523-87-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 525.02
    methanol 453.01
    isopropanol 518.92
    water 0.31
    ethyl acetate 336.56
    n-propanol 475.08
    acetone 435.5
    n-butanol 547.42
    acetonitrile 375.02
    DMF 427.31
    toluene 462.91
    isobutanol 392.25
    1,4-dioxane 862.74
    methyl acetate 290.7
    THF 1151.13
    2-butanone 463.37
    n-pentanol 358.38
    sec-butanol 443.13
    n-hexane 137.42
    ethylene glycol 31.41
    NMP 466.58
    cyclohexane 280.87
    DMSO 256.94
    n-butyl acetate 502.64
    n-octanol 252.26
    chloroform 1591.31
    n-propyl acetate 264.96
    acetic acid 257.74
    dichloromethane 1079.85
    cyclohexanone 809.43
    propylene glycol 94.73
    isopropyl acetate 234.1
    DMAc 320.66
    2-ethoxyethanol 218.39
    isopentanol 465.96
    n-heptane 108.24
    ethyl formate 257.92
    1,2-dichloroethane 557.9
    n-hexanol 561.78
    2-methoxyethanol 346.46
    isobutyl acetate 207.44
    tetrachloromethane 228.71
    n-pentyl acetate 277.69
    transcutol 909.45
    n-heptanol 256.48
    ethylbenzene 242.4
    MIBK 252.63
    2-propoxyethanol 448.88
    tert-butanol 488.18
    MTBE 391.03
    2-butoxyethanol 308.85
    propionic acid 226.65
    o-xylene 240.52
    formic acid 47.33
    diethyl ether 454.2
    m-xylene 290.06
    p-xylene 301.94
    chlorobenzene 491.54
    dimethyl carbonate 77.14
    n-octane 41.87
    formamide 74.85
    cyclopentanone 680.1
    2-pentanone 393.51
    anisole 291.64
    cyclopentyl methyl ether 471.85
    gamma-butyrolactone 577.35
    1-methoxy-2-propanol 319.2
    pyridine 810.75
    3-pentanone 264.84
    furfural 505.01
    n-dodecane 30.78
    diethylene glycol 198.4
    diisopropyl ether 141.58
    tert-amyl alcohol 388.89
    acetylacetone 275.34
    n-hexadecane 36.49
    acetophenone 271.22
    methyl propionate 211.42
    isopentyl acetate 424.44
    trichloroethylene 1123.05
    n-nonanol 212.64
    cyclohexanol 563.04
    benzyl alcohol 282.1
    2-ethylhexanol 327.02
    isooctanol 200.04
    dipropyl ether 306.39
    1,2-dichlorobenzene 367.96
    ethyl lactate 115.47
    propylene carbonate 406.73
    n-methylformamide 176.66
    2-pentanol 378.57
    n-pentane 126.88
    1-propoxy-2-propanol 418.95
    1-methoxy-2-propyl acetate 310.4
    2-(2-methoxypropoxy) propanol 266.41
    mesitylene 180.6
    ε-caprolactone 581.4
    p-cymene 181.97
    epichlorohydrin 689.56
    1,1,1-trichloroethane 656.55
    2-aminoethanol 113.57
    morpholine-4-carbaldehyde 445.13
    sulfolane 459.21
    2,2,4-trimethylpentane 53.1
    2-methyltetrahydrofuran 837.07
    n-hexyl acetate 398.95
    isooctane 48.52
    2-(2-butoxyethoxy)ethanol 364.01
    sec-butyl acetate 194.9
    tert-butyl acetate 247.3
    decalin 94.89
    glycerin 97.63
    diglyme 562.63
    acrylic acid 157.38
    isopropyl myristate 163.15
    n-butyric acid 456.66
    acetyl acetate 191.16
    di(2-ethylhexyl) phthalate 163.66
    ethyl propionate 194.6
    nitromethane 300.99
    1,2-diethoxyethane 416.55
    benzonitrile 437.31
    trioctyl phosphate 115.96
    1-bromopropane 532.17
    gamma-valerolactone 729.93
    n-decanol 149.59
    triethyl phosphate 125.47
    4-methyl-2-pentanol 204.47
    propionitrile 370.11
    vinylene carbonate 356.12
    1,1,2-trichlorotrifluoroethane 349.3
    DMS 198.53
    cumene 164.84
    2-octanol 183.03
    2-hexanone 320.56
    octyl acetate 201.45
    limonene 251.18
    1,2-dimethoxyethane 463.95
    ethyl orthosilicate 129.89
    tributyl phosphate 137.8
    diacetone alcohol 260.54
    N,N-dimethylaniline 204.72
    acrylonitrile 319.74
    aniline 400.49
    1,3-propanediol 212.03
    bromobenzene 543.43
    dibromomethane 890.24
    1,1,2,2-tetrachloroethane 870.79
    2-methyl-cyclohexyl acetate 267.4
    tetrabutyl urea 167.59
    diisobutyl methanol 174.76
    2-phenylethanol 359.65
    styrene 287.06
    dioctyl adipate 216.55
    dimethyl sulfate 98.62
    ethyl butyrate 274.77
    methyl lactate 101.26
    butyl lactate 222.64
    diethyl carbonate 176.88
    propanediol butyl ether 288.82
    triethyl orthoformate 208.43
    p-tert-butyltoluene 172.38
    methyl 4-tert-butylbenzoate 241.51
    morpholine 970.27
    tert-butylamine 385.44
    n-dodecanol 114.21
    dimethoxymethane 270.93
    ethylene carbonate 302.2
    cyrene 237.38
    2-ethoxyethyl acetate 302.0
    2-ethylhexyl acetate 341.56
    1,2,4-trichlorobenzene 428.38
    4-methylpyridine 791.6
    dibutyl ether 273.65
    2,6-dimethyl-4-heptanol 174.76
    DEF 315.46
    dimethyl isosorbide 440.27
    tetrachloroethylene 534.71
    eugenol 234.49
    triacetin 256.7
    span 80 292.39
    1,4-butanediol 93.33
    1,1-dichloroethane 697.69
    2-methyl-1-pentanol 344.88
    methyl formate 132.93
    2-methyl-1-butanol 434.3
    n-decane 55.79
    butyronitrile 551.66
    3,7-dimethyl-1-octanol 225.32
    1-chlorooctane 181.24
    1-chlorotetradecane 74.63
    n-nonane 55.07
    undecane 40.26
    tert-butylcyclohexane 84.51
    cyclooctane 82.53
    cyclopentanol 443.05
    tetrahydropyran 1128.46
    tert-amyl methyl ether 270.6
    2,5,8-trioxanonane 366.73
    1-hexene 354.24
    2-isopropoxyethanol 185.1
    2,2,2-trifluoroethanol 68.4
    methyl butyrate 281.53

    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) 1c root 8015-79-0 Acorus calamus L., fam. Araceae 0.5%
Calamus (China) 1a leaf 8015-79-0 Acorus calamus L., fam. Araceae 4.09%
Calamus (China) 1b rhizome 8015-79-0 Acorus calamus L., fam. Araceae 7.38%