Bicyclo[3.1.1]hept-2-ene-2-acetaldehyde, 6,6-dimethyl-

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  • Identifiers

    CAS number
    30897-75-7

    Molecular formula
    C11H16O

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

  • Odor profile

    Woody 72.06%
    Herbal 43.29%
    Fatty 42.4%
    Oily 42.09%
    Fresh 40.51%
    Sweet 40.04%
    Green 39.01%
    Aldehydic 37.26%
    Spicy 36.0%
    Pine 34.97%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point est.
    90.39 ˚C

  • Synonyms

    • Nopylaldehyde
    • 30897-75-7
    • Bicyclo[3.1.1]hept-2-ene-2-acetaldehyde, 6,6-dimethyl-
    • EINECS 250-376-7
    • DTXSID70865567
    • 6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-acetaldehyde
    • 6,6-dimethylbicyclo[3.1.1]hept-2-en-2-acetaldehyde
    • Bicyclo(3.1.1)hept-2-ene-2-acetaldehyde, 6,6-dimethyl-
    • 2-{6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL}ACETALDEHYDE
    • nopyl aldehyde
    • SCHEMBL3505958
    • DTXCID30813963
    • BLKPFVWYBFDTPX-UHFFFAOYSA-N
    • NS00049844
    • EN300-1843817

  • Applications

    Bicyclo[3.1.1]hept-2-ene-2-acetaldehyde, 6,6-dimethyl- (CAS 30897-75-7) is a rigid bicyclic, terpenoid-like aldehyde used and studied as: (i) a fragrance ingredient or precursor for odorants in fine fragrances, personal care, and household products, where the –CHO confers fresh/green aldehydic top notes and the gem-dimethyl scaffold adds woody–pine nuances; (ii) a versatile synthetic building block for imine/oxime/acetal formation, reduction to the corresponding alcohol, and aldol-type elaboration, enabling libraries of aroma chemicals, candidate pharmaceuticals, and agrochemical leads with useful stereochemical control; (iii) a functionalization handle for amine-rich materials/polymers via Schiff-base attachment to tune surfaces or immobilize dyes and organocatalysts; (iv) a reference standard in GC–MS and sensory work for calibration and odor mapping, and a substrate in biobased semisynthetic routes and exploratory studies on insect semiochemicals.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 388.93
    methanol 326.14
    isopropanol 307.35
    water 3.5
    ethyl acetate 812.18
    n-propanol 347.66
    acetone 917.78
    n-butanol 286.5
    acetonitrile 761.12
    DMF 749.5
    toluene 337.21
    isobutanol 221.32
    1,4-dioxane 1108.71
    methyl acetate 730.1
    THF 1472.88
    2-butanone 679.21
    n-pentanol 109.38
    sec-butanol 178.57
    n-hexane 11.28
    ethylene glycol 124.24
    NMP 454.23
    cyclohexane 41.63
    DMSO 502.19
    n-butyl acetate 322.88
    n-octanol 77.25
    chloroform 1610.74
    n-propyl acetate 247.21
    acetic acid 301.9
    dichloromethane 1454.19
    cyclohexanone 672.86
    propylene glycol 135.18
    isopropyl acetate 424.7
    DMAc 396.63
    2-ethoxyethanol 242.94
    isopentanol 227.7
    n-heptane 16.07
    ethyl formate 383.7
    1,2-dichloroethane 913.91
    n-hexanol 207.63
    2-methoxyethanol 607.33
    isobutyl acetate 153.72
    tetrachloromethane 185.97
    n-pentyl acetate 153.97
    transcutol 1207.5
    n-heptanol 87.77
    ethylbenzene 115.03
    MIBK 285.53
    2-propoxyethanol 473.78
    tert-butanol 297.55
    MTBE 321.2
    2-butoxyethanol 219.68
    propionic acid 318.16
    o-xylene 173.07
    formic acid 160.86
    diethyl ether 444.77
    m-xylene 226.74
    p-xylene 150.62
    chlorobenzene 434.56
    dimethyl carbonate 311.98
    n-octane 7.49
    formamide 333.32
    cyclopentanone 1103.16
    2-pentanone 543.16
    anisole 296.44
    cyclopentyl methyl ether 470.36
    gamma-butyrolactone 1179.91
    1-methoxy-2-propanol 480.49
    pyridine 694.95
    3-pentanone 409.69
    furfural 750.28
    n-dodecane 6.83
    diethylene glycol 391.72
    diisopropyl ether 122.4
    tert-amyl alcohol 170.01
    acetylacetone 658.93
    n-hexadecane 8.18
    acetophenone 233.67
    methyl propionate 621.47
    isopentyl acetate 266.63
    trichloroethylene 1669.43
    n-nonanol 72.36
    cyclohexanol 228.1
    benzyl alcohol 187.02
    2-ethylhexanol 106.18
    isooctanol 71.69
    dipropyl ether 163.57
    1,2-dichlorobenzene 368.34
    ethyl lactate 125.05
    propylene carbonate 508.31
    n-methylformamide 544.59
    2-pentanol 167.99
    n-pentane 20.49
    1-propoxy-2-propanol 293.42
    1-methoxy-2-propyl acetate 444.57
    2-(2-methoxypropoxy) propanol 213.09
    mesitylene 128.72
    ε-caprolactone 565.73
    p-cymene 81.47
    epichlorohydrin 1372.37
    1,1,1-trichloroethane 763.43
    2-aminoethanol 197.68
    morpholine-4-carbaldehyde 640.35
    sulfolane 661.55
    2,2,4-trimethylpentane 12.87
    2-methyltetrahydrofuran 748.47
    n-hexyl acetate 232.86
    isooctane 14.84
    2-(2-butoxyethoxy)ethanol 310.94
    sec-butyl acetate 180.57
    tert-butyl acetate 366.71
    decalin 20.0
    glycerin 191.52
    diglyme 607.07
    acrylic acid 277.04
    isopropyl myristate 87.94
    n-butyric acid 439.97
    acetyl acetate 460.52
    di(2-ethylhexyl) phthalate 85.85
    ethyl propionate 266.51
    nitromethane 910.3
    1,2-diethoxyethane 370.43
    benzonitrile 306.98
    trioctyl phosphate 62.36
    1-bromopropane 407.55
    gamma-valerolactone 1104.15
    n-decanol 55.84
    triethyl phosphate 95.76
    4-methyl-2-pentanol 115.63
    propionitrile 514.29
    vinylene carbonate 506.79
    1,1,2-trichlorotrifluoroethane 490.62
    DMS 295.31
    cumene 77.76
    2-octanol 54.01
    2-hexanone 205.03
    octyl acetate 109.28
    limonene 99.42
    1,2-dimethoxyethane 452.37
    ethyl orthosilicate 91.77
    tributyl phosphate 82.22
    diacetone alcohol 349.71
    N,N-dimethylaniline 139.08
    acrylonitrile 606.27
    aniline 346.63
    1,3-propanediol 328.76
    bromobenzene 454.11
    dibromomethane 816.08
    1,1,2,2-tetrachloroethane 960.73
    2-methyl-cyclohexyl acetate 150.06
    tetrabutyl urea 88.75
    diisobutyl methanol 78.71
    2-phenylethanol 242.4
    styrene 146.21
    dioctyl adipate 121.48
    dimethyl sulfate 337.15
    ethyl butyrate 216.3
    methyl lactate 246.29
    butyl lactate 135.26
    diethyl carbonate 156.08
    propanediol butyl ether 175.07
    triethyl orthoformate 137.87
    p-tert-butyltoluene 82.47
    methyl 4-tert-butylbenzoate 189.65
    morpholine 1009.68
    tert-butylamine 177.79
    n-dodecanol 42.63
    dimethoxymethane 658.9
    ethylene carbonate 438.11
    cyrene 181.16
    2-ethoxyethyl acetate 336.45
    2-ethylhexyl acetate 194.63
    1,2,4-trichlorobenzene 406.88
    4-methylpyridine 591.04
    dibutyl ether 102.38
    2,6-dimethyl-4-heptanol 78.71
    DEF 390.12
    dimethyl isosorbide 372.6
    tetrachloroethylene 588.02
    eugenol 178.79
    triacetin 246.93
    span 80 155.15
    1,4-butanediol 82.74
    1,1-dichloroethane 918.05
    2-methyl-1-pentanol 95.71
    methyl formate 465.6
    2-methyl-1-butanol 173.79
    n-decane 10.94
    butyronitrile 416.66
    3,7-dimethyl-1-octanol 90.64
    1-chlorooctane 61.44
    1-chlorotetradecane 25.54
    n-nonane 9.82
    undecane 8.45
    tert-butylcyclohexane 18.18
    cyclooctane 15.4
    cyclopentanol 275.72
    tetrahydropyran 829.74
    tert-amyl methyl ether 182.85
    2,5,8-trioxanonane 361.3
    1-hexene 54.52
    2-isopropoxyethanol 180.88
    2,2,2-trifluoroethanol 197.7
    methyl butyrate 275.24

    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
Hyssop (Himalaya) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.3%