CID 11152244

Overview IFRA Request a quote

  • Identifiers

    CAS number
    18456-00-3

    Molecular formula
    C20H28O5

    SMILES
    C/C=C(/C)\C(=O)O[C@H]1CC[C@@H]([C@@]2([C@H]1[C@H]([C@@]3(C2)C(=C)COC3=O)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Mint 43.27%
    Woody 42.12%
    Herbal 37.17%
    Sweet 36.87%
    Spicy 32.7%
    Odorless 29.76%
    Cooling 25.58%
    Fresh 25.03%
    Camphoreous 24.56%
    Tobacco 23.39%

     

    Flavor
    Bitter 81.55%
    Minty 23.08%
    Cedarleaf 21.98%
    Lovage 20.85%
    Ripe apricot 20.18%
    Parsley 20.15%
    Basil 20.0%
    Red fruit 19.97%
    Leaves 19.69%
    Broom 19.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.19 (neutral)

    Molecular weight
    348.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    483°C

    Flash point

    • 172.5 ˚C est.

  • Synonyms

    • Bakkenolide C
    • 18456-00-3
    • SCHEMBL29696077
    • CHEBI:175446
    • DTXSID401099648
    • 2-Butenoic acid, 2-methyl-, (2a(2)R,3a(2)R,3a(2)aS,4a(2)S,7a(2)S,7a(2)aR)-decahydro-3a(2)-hydroxy-7a(2),7a(2)a-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2a(2)-[2H]inden]-4a(2)-yl ester, (2Z)-
    • 18456-00-3

  • Applications

    CID 11152244, CAS 18456-00-3, is commonly used as an organic synthesis intermediate and as a solvent in various industrial manufacturing processes. In the polymer and plastics sector, it may function as a processing aid and as a precursor for polymer synthesis. In coatings and inks, it may serve as a solvent or formulation component to tailor properties of coatings and printed materials. In adhesives, it can be evaluated as a processing additive to improve compatibility and interfacial bonding. Additionally, it may be used as a specialty solvent in cleaning or industrial formulation contexts, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.43
    methanol 282.45
    isopropanol 347.94
    water 0.16
    ethyl acetate 228.27
    n-propanol 218.91
    acetone 386.75
    n-butanol 250.56
    acetonitrile 85.99
    DMF 694.8
    toluene 218.05
    isobutanol 185.94
    1,4-dioxane 623.82
    methyl acetate 160.67
    THF 1522.36
    2-butanone 275.25
    n-pentanol 122.75
    sec-butanol 172.14
    n-hexane 1.82
    ethylene glycol 27.4
    NMP 349.47
    cyclohexane 6.37
    DMSO 412.92
    n-butyl acetate 96.69
    n-octanol 42.02
    chloroform 642.62
    n-propyl acetate 93.94
    acetic acid 229.0
    dichloromethane 377.2
    cyclohexanone 436.11
    propylene glycol 64.33
    isopropyl acetate 205.38
    DMAc 395.07
    2-ethoxyethanol 246.57
    isopentanol 226.86
    n-heptane 1.5
    ethyl formate 96.66
    1,2-dichloroethane 248.5
    n-hexanol 115.58
    2-methoxyethanol 574.56
    isobutyl acetate 81.8
    tetrachloromethane 44.46
    n-pentyl acetate 87.04
    transcutol 550.34
    n-heptanol 58.38
    ethylbenzene 56.67
    MIBK 205.63
    2-propoxyethanol 387.41
    tert-butanol 315.59
    MTBE 111.3
    2-butoxyethanol 169.24
    propionic acid 116.97
    o-xylene 80.08
    formic acid 92.09
    diethyl ether 134.16
    m-xylene 122.78
    p-xylene 78.92
    chlorobenzene 189.76
    dimethyl carbonate 147.93
    n-octane 1.01
    formamide 153.64
    cyclopentanone 616.35
    2-pentanone 285.87
    anisole 136.94
    cyclopentyl methyl ether 308.55
    gamma-butyrolactone 551.35
    1-methoxy-2-propanol 589.31
    pyridine 378.32
    3-pentanone 152.91
    furfural 360.21
    n-dodecane 1.22
    diethylene glycol 272.33
    diisopropyl ether 34.93
    tert-amyl alcohol 139.44
    acetylacetone 428.53
    n-hexadecane 1.54
    acetophenone 150.43
    methyl propionate 194.26
    isopentyl acetate 113.25
    trichloroethylene 589.01
    n-nonanol 45.16
    cyclohexanol 202.35
    benzyl alcohol 164.0
    2-ethylhexanol 46.14
    isooctanol 51.19
    dipropyl ether 41.68
    1,2-dichlorobenzene 153.43
    ethyl lactate 74.6
    propylene carbonate 239.0
    n-methylformamide 215.35
    2-pentanol 160.25
    n-pentane 2.82
    1-propoxy-2-propanol 230.66
    1-methoxy-2-propyl acetate 207.09
    2-(2-methoxypropoxy) propanol 142.4
    mesitylene 56.16
    ε-caprolactone 297.1
    p-cymene 26.15
    epichlorohydrin 685.78
    1,1,1-trichloroethane 210.76
    2-aminoethanol 82.6
    morpholine-4-carbaldehyde 500.5
    sulfolane 511.15
    2,2,4-trimethylpentane 2.14
    2-methyltetrahydrofuran 419.16
    n-hexyl acetate 109.81
    isooctane 2.9
    2-(2-butoxyethoxy)ethanol 218.31
    sec-butyl acetate 85.19
    tert-butyl acetate 203.79
    decalin 4.34
    glycerin 131.59
    diglyme 359.68
    acrylic acid 111.48
    isopropyl myristate 45.41
    n-butyric acid 263.74
    acetyl acetate 178.88
    di(2-ethylhexyl) phthalate 59.13
    ethyl propionate 87.31
    nitromethane 328.81
    1,2-diethoxyethane 143.14
    benzonitrile 144.03
    trioctyl phosphate 41.15
    1-bromopropane 99.47
    gamma-valerolactone 738.46
    n-decanol 31.62
    triethyl phosphate 40.65
    4-methyl-2-pentanol 111.36
    propionitrile 102.86
    vinylene carbonate 210.87
    1,1,2-trichlorotrifluoroethane 320.51
    DMS 119.76
    cumene 33.66
    2-octanol 40.05
    2-hexanone 120.93
    octyl acetate 56.23
    limonene 30.53
    1,2-dimethoxyethane 351.64
    ethyl orthosilicate 38.82
    tributyl phosphate 43.69
    diacetone alcohol 307.83
    N,N-dimethylaniline 87.49
    acrylonitrile 137.1
    aniline 257.12
    1,3-propanediol 260.95
    bromobenzene 196.14
    dibromomethane 215.38
    1,1,2,2-tetrachloroethane 438.07
    2-methyl-cyclohexyl acetate 75.75
    tetrabutyl urea 65.16
    diisobutyl methanol 39.36
    2-phenylethanol 165.81
    styrene 71.2
    dioctyl adipate 69.05
    dimethyl sulfate 213.3
    ethyl butyrate 64.76
    methyl lactate 154.18
    butyl lactate 89.93
    diethyl carbonate 47.32
    propanediol butyl ether 137.32
    triethyl orthoformate 56.53
    p-tert-butyltoluene 29.62
    methyl 4-tert-butylbenzoate 126.98
    morpholine 691.18
    tert-butylamine 96.34
    n-dodecanol 21.7
    dimethoxymethane 626.94
    ethylene carbonate 189.39
    cyrene 184.63
    2-ethoxyethyl acetate 146.85
    2-ethylhexyl acetate 73.8
    1,2,4-trichlorobenzene 176.16
    4-methylpyridine 385.56
    dibutyl ether 35.92
    2,6-dimethyl-4-heptanol 39.36
    DEF 207.51
    dimethyl isosorbide 275.89
    tetrachloroethylene 240.23
    eugenol 135.55
    triacetin 123.31
    span 80 122.78
    1,4-butanediol 68.06
    1,1-dichloroethane 256.98
    2-methyl-1-pentanol 101.76
    methyl formate 185.02
    2-methyl-1-butanol 150.4
    n-decane 2.12
    butyronitrile 126.84
    3,7-dimethyl-1-octanol 52.75
    1-chlorooctane 16.88
    1-chlorotetradecane 7.21
    n-nonane 1.52
    undecane 1.55
    tert-butylcyclohexane 3.5
    cyclooctane 2.22
    cyclopentanol 262.63
    tetrahydropyran 427.4
    tert-amyl methyl ether 73.41
    2,5,8-trioxanonane 228.93
    1-hexene 14.26
    2-isopropoxyethanol 167.43
    2,2,2-trifluoroethanol 86.38
    methyl butyrate 113.89

    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