alpha,alpha,6,6-Tetramethylbicyclo(3.1.1)hept-2-ene-2-propanal

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  • Identifiers

    CAS number
    33885-52-8

    Molecular formula
    C14H22O

    SMILES
    CC1(C2CC=C(C1C2)CC(C)(C)C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 74.29%
    Herbal 51.51%
    Sweet 42.6%
    Fresh 41.94%
    Citrus 41.67%
    Pine 41.14%
    Dry 37.76%
    Spicy 36.98%
    Green 35.37%
    Amber 34.27%

     

    Flavor
    Woody 68.69%
    Sweet 47.52%
    Green 46.88%
    Wood 40.72%
    Pine 40.31%
    Herbal 38.91%
    Camphor 36.59%
    Citrus 33.28%
    Fresh 32.61%
    Balsam 30.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.34 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point

    • 104.78 ˚C est.

  • Synonyms

    • 33885-52-8
    • RefChem:1076385
    • ALPHA,ALPHA,6,6-TETRAMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-PROPANAL
    • Bicyclo(3.1.1)hept-2-ene-2-propanal, alpha,alpha,6,6-tetramethyl-
    • 3-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)-2,2-dimethylpropanal
    • DTXSID5051490
    • SCHEMBL15876024
    • GVSTVIASYRSHQM-UHFFFAOYSA-N
    • Bicyclo[3.1.1]hept-2-ene-2-propanal, .alpha.,.alpha.,6,6-tetramethyl-
    • NS00013226
    • 33885-52-8

  • Applications

    Chemical: alpha,alpha,6,6-Tetramethylbicyclo(3.1.1)hept-2-ene-2-propanal (CAS 33885-52-8) is a bicyclic aldehyde that is primarily considered as a fragrance ingredient with potential as a fixative in perfumery. In practice, it may be used as an odorant in cosmetics/personal care and in household cleaning products; it also serves as an industrial manufacturing intermediate for the synthesis of specialty aroma compounds; it may be evaluated for coatings/inks as an odorant modifier; and could be considered as a fragrance-related additive in polymer formulations to enable scent release.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 206.42
    methanol 148.99
    isopropanol 190.03
    water 0.93
    ethyl acetate 348.79
    n-propanol 211.85
    acetone 343.0
    n-butanol 207.16
    acetonitrile 302.43
    DMF 377.5
    toluene 383.89
    isobutanol 173.6
    1,4-dioxane 454.78
    methyl acetate 372.21
    THF 695.96
    2-butanone 433.33
    n-pentanol 130.66
    sec-butanol 172.2
    n-hexane 24.56
    ethylene glycol 47.48
    NMP 328.83
    cyclohexane 52.55
    DMSO 186.91
    n-butyl acetate 353.74
    n-octanol 117.53
    chloroform 1131.97
    n-propyl acetate 256.95
    acetic acid 169.76
    dichloromethane 784.96
    cyclohexanone 474.0
    propylene glycol 97.75
    isopropyl acetate 257.55
    DMAc 325.78
    2-ethoxyethanol 189.8
    isopentanol 211.47
    n-heptane 24.26
    ethyl formate 241.13
    1,2-dichloroethane 417.87
    n-hexanol 229.17
    2-methoxyethanol 278.9
    isobutyl acetate 197.53
    tetrachloromethane 182.87
    n-pentyl acetate 202.1
    transcutol 753.0
    n-heptanol 133.14
    ethylbenzene 213.63
    MIBK 241.19
    2-propoxyethanol 345.58
    tert-butanol 210.49
    MTBE 242.66
    2-butoxyethanol 238.56
    propionic acid 194.03
    o-xylene 236.14
    formic acid 68.53
    diethyl ether 225.46
    m-xylene 289.29
    p-xylene 287.48
    chlorobenzene 430.28
    dimethyl carbonate 157.71
    n-octane 10.84
    formamide 125.78
    cyclopentanone 548.47
    2-pentanone 319.49
    anisole 345.44
    cyclopentyl methyl ether 304.64
    gamma-butyrolactone 539.53
    1-methoxy-2-propanol 285.79
    pyridine 547.73
    3-pentanone 256.52
    furfural 556.59
    n-dodecane 8.88
    diethylene glycol 216.27
    diisopropyl ether 106.24
    tert-amyl alcohol 168.96
    acetylacetone 334.99
    n-hexadecane 10.56
    acetophenone 315.52
    methyl propionate 284.76
    isopentyl acetate 335.97
    trichloroethylene 974.79
    n-nonanol 104.92
    cyclohexanol 196.16
    benzyl alcohol 246.78
    2-ethylhexanol 157.12
    isooctanol 119.86
    dipropyl ether 158.63
    1,2-dichlorobenzene 386.02
    ethyl lactate 149.95
    propylene carbonate 395.48
    n-methylformamide 210.15
    2-pentanol 153.61
    n-pentane 29.4
    1-propoxy-2-propanol 282.8
    1-methoxy-2-propyl acetate 374.84
    2-(2-methoxypropoxy) propanol 246.19
    mesitylene 181.47
    ε-caprolactone 429.56
    p-cymene 142.88
    epichlorohydrin 627.19
    1,1,1-trichloroethane 516.67
    2-aminoethanol 111.63
    morpholine-4-carbaldehyde 423.4
    sulfolane 400.12
    2,2,4-trimethylpentane 23.91
    2-methyltetrahydrofuran 453.37
    n-hexyl acetate 281.18
    isooctane 25.45
    2-(2-butoxyethoxy)ethanol 289.32
    sec-butyl acetate 205.37
    tert-butyl acetate 275.16
    decalin 38.06
    glycerin 117.65
    diglyme 495.44
    acrylic acid 175.62
    isopropyl myristate 114.5
    n-butyric acid 277.32
    acetyl acetate 248.8
    di(2-ethylhexyl) phthalate 125.27
    ethyl propionate 221.31
    nitromethane 343.46
    1,2-diethoxyethane 266.5
    benzonitrile 386.16
    trioctyl phosphate 86.33
    1-bromopropane 271.69
    gamma-valerolactone 630.49
    n-decanol 75.93
    triethyl phosphate 119.63
    4-methyl-2-pentanol 132.95
    propionitrile 300.6
    vinylene carbonate 401.68
    1,1,2-trichlorotrifluoroethane 410.19
    DMS 246.7
    cumene 149.62
    2-octanol 89.72
    2-hexanone 255.36
    octyl acetate 138.34
    limonene 147.53
    1,2-dimethoxyethane 322.29
    ethyl orthosilicate 117.01
    tributyl phosphate 104.68
    diacetone alcohol 261.19
    N,N-dimethylaniline 221.43
    acrylonitrile 344.5
    aniline 345.55
    1,3-propanediol 159.14
    bromobenzene 476.45
    dibromomethane 524.17
    1,1,2,2-tetrachloroethane 667.79
    2-methyl-cyclohexyl acetate 219.86
    tetrabutyl urea 114.49
    diisobutyl methanol 110.59
    2-phenylethanol 304.99
    styrene 245.43
    dioctyl adipate 155.94
    dimethyl sulfate 179.74
    ethyl butyrate 247.38
    methyl lactate 180.65
    butyl lactate 191.95
    diethyl carbonate 181.1
    propanediol butyl ether 226.22
    triethyl orthoformate 171.76
    p-tert-butyltoluene 143.28
    methyl 4-tert-butylbenzoate 253.14
    morpholine 478.33
    tert-butylamine 155.82
    n-dodecanol 56.72
    dimethoxymethane 264.78
    ethylene carbonate 311.96
    cyrene 216.7
    2-ethoxyethyl acetate 288.43
    2-ethylhexyl acetate 261.47
    1,2,4-trichlorobenzene 452.61
    4-methylpyridine 594.86
    dibutyl ether 125.53
    2,6-dimethyl-4-heptanol 110.59
    DEF 272.21
    dimethyl isosorbide 387.61
    tetrachloroethylene 412.36
    eugenol 238.28
    triacetin 291.3
    span 80 203.01
    1,4-butanediol 69.64
    1,1-dichloroethane 524.05
    2-methyl-1-pentanol 145.51
    methyl formate 175.71
    2-methyl-1-butanol 178.96
    n-decane 15.8
    butyronitrile 307.06
    3,7-dimethyl-1-octanol 136.59
    1-chlorooctane 82.5
    1-chlorotetradecane 29.74
    n-nonane 14.43
    undecane 11.31
    tert-butylcyclohexane 37.77
    cyclooctane 23.7
    cyclopentanol 194.89
    tetrahydropyran 437.03
    tert-amyl methyl ether 178.02
    2,5,8-trioxanonane 317.24
    1-hexene 100.14
    2-isopropoxyethanol 161.07
    2,2,2-trifluoroethanol 105.4
    methyl butyrate 274.76

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.0014 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.0041 %
Category 2
Products applied to the axillae
 0.11 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.0041 %
Category 3
Products applied to the face/body using fingertips
 0.0014 % Category 8
Products with significant anogenital exposure
 0.00046 %
Category 4
Products related to fine fragrance
 1.3 % Category 9
Products with body and hand exposure, primarily rinse off
 0.087 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.019 % Category 10A
Household care products with mostly hand contact
 0.0096 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.0014 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.13 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.0014 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.00046 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.00046 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.00046 %
Category 6
Products with oral and lip exposure
 0.0014 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 25 %