Bicyclo(3.1.1)hept-2-ene-2-propanal, 6,6-dimethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    33885-51-7

    Molecular formula
    C12H18O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 62.74%
    Sweet 47.34%
    Aldehydic 44.35%
    Fresh 43.58%
    Oily 39.46%
    Fatty 37.78%
    Green 37.34%
    Herbal 35.26%
    Sandalwood 34.54%
    Floral 33.75%

     

    Flavor
    Sweet 50.69%
    Green 49.77%
    Herbal 48.92%
    Woody 46.99%
    Fresh 43.21%
    Spicy 40.64%
    Spice 37.95%
    Floral 31.13%
    Mint 30.66%
    Balsam 30.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.66 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 94.76 ˚C est.

  • Synonyms

    • 33885-51-7
    • Bicyclo(3.1.1)hept-2-ene-2-propanal, 6,6-dimethyl-
    • EINECS 251-717-2
    • 6,6-Dimethyl-2-norpinenepropionaldehyde
    • Bicyclo[3.1.1]hept-2-ene-2-propanal, 6,6-dimethyl-
    • 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)propanal
    • 3-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}propanal
    • 6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-propionaldehyde
    • 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-propionaldehyde
    • 3-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)propanal
    • pinoacetaldehyde
    • SCHEMBL228951
    • DTXSID7052022
    • DDFGFKGJBOILQZ-UHFFFAOYSA-N
    • NS00012622
    • EN300-1829066
    • Bicyclo3.1.1hept-2-ene-2-propanal, 6,6-dimethyl-
    • 251-717-2

  • Applications

    Bicyclo(3.1.1)hept-2-ene-2-propanal, 6,6-dimethyl- (CAS 33885-51-7) is a bicyclic aldehyde employed primarily as an aroma intermediate and fragrance ingredient. In perfumery it can contribute as a distinctive odorant; in cosmetics and personal care formulations it may serve as a fragrance component; in household products such as cleaners and air fresheners it is used to impart scent. It also functions as a building block in industrial fragrance synthesis and related formulation development, and may find use in coatings/inks as an odorant additive. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 512.94
    methanol 447.68
    isopropanol 392.64
    water 2.02
    ethyl acetate 970.1
    n-propanol 495.72
    acetone 1268.07
    n-butanol 393.19
    acetonitrile 915.79
    DMF 1051.8
    toluene 607.06
    isobutanol 308.58
    1,4-dioxane 1204.48
    methyl acetate 934.92
    THF 1718.25
    2-butanone 1031.67
    n-pentanol 185.01
    sec-butanol 273.24
    n-hexane 31.75
    ethylene glycol 149.69
    NMP 738.03
    cyclohexane 75.81
    DMSO 909.18
    n-butyl acetate 493.72
    n-octanol 103.01
    chloroform 2106.92
    n-propyl acetate 427.48
    acetic acid 406.43
    dichloromethane 1874.99
    cyclohexanone 1030.68
    propylene glycol 175.91
    isopropyl acetate 538.5
    DMAc 568.61
    2-ethoxyethanol 397.02
    isopentanol 322.75
    n-heptane 20.06
    ethyl formate 517.3
    1,2-dichloroethane 1312.51
    n-hexanol 268.07
    2-methoxyethanol 765.63
    isobutyl acetate 254.04
    tetrachloromethane 351.26
    n-pentyl acetate 267.63
    transcutol 2257.27
    n-heptanol 114.75
    ethylbenzene 233.86
    MIBK 413.38
    2-propoxyethanol 583.77
    tert-butanol 397.17
    MTBE 506.32
    2-butoxyethanol 308.36
    propionic acid 446.13
    o-xylene 306.68
    formic acid 224.66
    diethyl ether 668.6
    m-xylene 374.8
    p-xylene 269.23
    chlorobenzene 798.14
    dimethyl carbonate 409.84
    n-octane 7.3
    formamide 497.91
    cyclopentanone 1539.36
    2-pentanone 793.89
    anisole 547.98
    cyclopentyl methyl ether 736.82
    gamma-butyrolactone 1616.13
    1-methoxy-2-propanol 609.03
    pyridine 1114.28
    3-pentanone 656.93
    furfural 1213.73
    n-dodecane 5.33
    diethylene glycol 463.37
    diisopropyl ether 193.14
    tert-amyl alcohol 277.04
    acetylacetone 924.97
    n-hexadecane 6.65
    acetophenone 437.17
    methyl propionate 786.44
    isopentyl acetate 423.66
    trichloroethylene 2502.69
    n-nonanol 91.29
    cyclohexanol 339.96
    benzyl alcohol 349.41
    2-ethylhexanol 151.36
    isooctanol 97.7
    dipropyl ether 223.07
    1,2-dichlorobenzene 654.69
    ethyl lactate 187.81
    propylene carbonate 728.55
    n-methylformamide 791.9
    2-pentanol 241.16
    n-pentane 41.54
    1-propoxy-2-propanol 392.74
    1-methoxy-2-propyl acetate 636.67
    2-(2-methoxypropoxy) propanol 339.16
    mesitylene 218.69
    ε-caprolactone 876.93
    p-cymene 125.78
    epichlorohydrin 1894.7
    1,1,1-trichloroethane 1174.67
    2-aminoethanol 266.37
    morpholine-4-carbaldehyde 916.69
    sulfolane 1226.81
    2,2,4-trimethylpentane 22.39
    2-methyltetrahydrofuran 1058.89
    n-hexyl acetate 370.28
    isooctane 22.78
    2-(2-butoxyethoxy)ethanol 480.12
    sec-butyl acetate 304.32
    tert-butyl acetate 517.23
    decalin 38.6
    glycerin 243.15
    diglyme 1003.66
    acrylic acid 408.71
    isopropyl myristate 118.01
    n-butyric acid 547.88
    acetyl acetate 546.71
    di(2-ethylhexyl) phthalate 125.99
    ethyl propionate 404.64
    nitromethane 1172.99
    1,2-diethoxyethane 584.74
    benzonitrile 539.21
    trioctyl phosphate 85.04
    1-bromopropane 608.39
    gamma-valerolactone 1570.59
    n-decanol 65.18
    triethyl phosphate 145.5
    4-methyl-2-pentanol 157.94
    propionitrile 665.42
    vinylene carbonate 738.91
    1,1,2-trichlorotrifluoroethane 863.57
    DMS 461.82
    cumene 143.34
    2-octanol 69.04
    2-hexanone 402.92
    octyl acetate 147.83
    limonene 140.39
    1,2-dimethoxyethane 688.65
    ethyl orthosilicate 137.54
    tributyl phosphate 123.49
    diacetone alcohol 490.67
    N,N-dimethylaniline 272.05
    acrylonitrile 828.18
    aniline 687.38
    1,3-propanediol 381.14
    bromobenzene 775.71
    dibromomethane 1155.01
    1,1,2,2-tetrachloroethane 1564.64
    2-methyl-cyclohexyl acetate 221.27
    tetrabutyl urea 125.97
    diisobutyl methanol 104.19
    2-phenylethanol 367.42
    styrene 308.53
    dioctyl adipate 176.08
    dimethyl sulfate 512.6
    ethyl butyrate 315.39
    methyl lactate 321.76
    butyl lactate 244.19
    diethyl carbonate 223.32
    propanediol butyl ether 303.7
    triethyl orthoformate 213.31
    p-tert-butyltoluene 124.07
    methyl 4-tert-butylbenzoate 294.64
    morpholine 1203.72
    tert-butylamine 257.17
    n-dodecanol 46.43
    dimethoxymethane 784.15
    ethylene carbonate 618.33
    cyrene 276.31
    2-ethoxyethyl acetate 553.24
    2-ethylhexyl acetate 316.34
    1,2,4-trichlorobenzene 788.63
    4-methylpyridine 1054.09
    dibutyl ether 163.43
    2,6-dimethyl-4-heptanol 104.19
    DEF 614.22
    dimethyl isosorbide 553.2
    tetrachloroethylene 1015.66
    eugenol 300.27
    triacetin 410.99
    span 80 234.12
    1,4-butanediol 122.9
    1,1-dichloroethane 1283.73
    2-methyl-1-pentanol 176.89
    methyl formate 631.5
    2-methyl-1-butanol 284.19
    n-decane 10.27
    butyronitrile 541.14
    3,7-dimethyl-1-octanol 130.9
    1-chlorooctane 79.84
    1-chlorotetradecane 24.74
    n-nonane 9.74
    undecane 7.15
    tert-butylcyclohexane 33.32
    cyclooctane 29.54
    cyclopentanol 389.55
    tetrahydropyran 1066.57
    tert-amyl methyl ether 302.54
    2,5,8-trioxanonane 544.16
    1-hexene 130.81
    2-isopropoxyethanol 283.91
    2,2,2-trifluoroethanol 256.21
    methyl butyrate 476.28

    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