2-[(3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl)oxy]acetaldehyde

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  • Identifiers

    CAS number
    72928-15-5

    Molecular formula
    C12H16O2

    SMILES
    C1C=CC2C1C3CC2C(C3)OCC=O

  • Odor profile

    Fragrance
    Fruity 82.87%
    Floral 51.24%
    Woody 47.14%
    Herbal 46.85%
    Green 43.77%
    Fresh 37.87%
    Sweet 34.7%
    Aldehydic 30.97%
    Jasmin 28.51%
    Oily 28.09%

     

    Flavor
    Bitter 49.39%
    Fatty 23.0%
    Alkaline 22.1%
    Shrimp 21.57%
    Cauliflower 20.51%
    Cedarleaf 20.32%
    Sweet-like 20.21%
    Cereal 20.1%
    Naphthalic 19.61%
    Cinnamic 19.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.16 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    299°C

    Flash point

    • 116.18 ˚C est.

  • Synonyms

    • 72928-15-5
    • 2-((3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl)oxy)acetaldehyde
    • 2-[(3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl)oxy]acetaldehyde
    • ACETALDEHYDE,[(3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1H-INDEN-5-YL)OXY]-
    • SCHEMBL229797
    • DTXSID80869218
    • IEGQLMQQLIHJMA-UHFFFAOYSA-N

  • Applications

    2-[(3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl)oxy]acetaldehyde (CAS 72928-15-5) is primarily encountered as a fragrance-related intermediate. In perfumery, it can contribute woody and amber-like notes and, owing to its aldehyde functionality, may serve as a note descriptor or a building block for more complex scent molecules. It is commonly evaluated for use in cosmetics and personal care products as a fragrance ingredient, and in household and cleaning formulations to impart distinctive aroma profiles. In industrial manufacturing, it may act as an intermediate for fragrance compounds or related derivatives, and can be used as a component in coatings or inks where odor contribution is desired. It may also be used as a precursor in polymer or plastic formulations to influence fragrance release. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 743.37
    methanol 1135.42
    isopropanol 595.11
    water 8.51
    ethyl acetate 1177.19
    n-propanol 577.72
    acetone 1088.89
    n-butanol 583.42
    acetonitrile 900.42
    DMF 613.5
    toluene 532.05
    isobutanol 387.29
    1,4-dioxane 1772.0
    methyl acetate 728.11
    THF 1587.1
    2-butanone 638.58
    n-pentanol 244.26
    sec-butanol 268.33
    n-hexane 13.17
    ethylene glycol 303.32
    NMP 285.84
    cyclohexane 68.41
    DMSO 946.71
    n-butyl acetate 358.75
    n-octanol 72.67
    chloroform 2337.03
    n-propyl acetate 336.4
    acetic acid 768.02
    dichloromethane 2057.66
    cyclohexanone 707.0
    propylene glycol 263.2
    isopropyl acetate 648.38
    DMAc 327.18
    2-ethoxyethanol 601.15
    isopentanol 512.2
    n-heptane 14.17
    ethyl formate 598.43
    1,2-dichloroethane 1272.53
    n-hexanol 237.04
    2-methoxyethanol 1261.82
    isobutyl acetate 227.8
    tetrachloromethane 293.41
    n-pentyl acetate 141.8
    transcutol 2457.8
    n-heptanol 83.7
    ethylbenzene 130.05
    MIBK 432.39
    2-propoxyethanol 640.23
    tert-butanol 587.89
    MTBE 460.59
    2-butoxyethanol 261.84
    propionic acid 462.54
    o-xylene 204.26
    formic acid 463.03
    diethyl ether 787.02
    m-xylene 317.35
    p-xylene 155.83
    chlorobenzene 562.95
    dimethyl carbonate 371.94
    n-octane 6.47
    formamide 662.81
    cyclopentanone 781.75
    2-pentanone 662.34
    anisole 370.99
    cyclopentyl methyl ether 608.84
    gamma-butyrolactone 946.15
    1-methoxy-2-propanol 927.24
    pyridine 1012.32
    3-pentanone 404.57
    furfural 860.65
    n-dodecane 7.27
    diethylene glycol 733.02
    diisopropyl ether 194.29
    tert-amyl alcohol 236.6
    acetylacetone 843.0
    n-hexadecane 8.43
    acetophenone 273.33
    methyl propionate 598.08
    isopentyl acetate 310.42
    trichloroethylene 1975.96
    n-nonanol 67.26
    cyclohexanol 401.62
    benzyl alcohol 309.99
    2-ethylhexanol 111.53
    isooctanol 74.61
    dipropyl ether 170.53
    1,2-dichlorobenzene 420.97
    ethyl lactate 180.77
    propylene carbonate 560.0
    n-methylformamide 661.3
    2-pentanol 323.52
    n-pentane 26.53
    1-propoxy-2-propanol 353.27
    1-methoxy-2-propyl acetate 509.37
    2-(2-methoxypropoxy) propanol 267.5
    mesitylene 178.34
    ε-caprolactone 578.76
    p-cymene 80.13
    epichlorohydrin 1489.02
    1,1,1-trichloroethane 906.52
    2-aminoethanol 420.87
    morpholine-4-carbaldehyde 654.59
    sulfolane 594.05
    2,2,4-trimethylpentane 17.43
    2-methyltetrahydrofuran 802.8
    n-hexyl acetate 188.56
    isooctane 23.37
    2-(2-butoxyethoxy)ethanol 404.41
    sec-butyl acetate 250.47
    tert-butyl acetate 455.11
    decalin 24.66
    glycerin 416.31
    diglyme 865.52
    acrylic acid 441.37
    isopropyl myristate 77.52
    n-butyric acid 805.3
    acetyl acetate 654.18
    di(2-ethylhexyl) phthalate 88.89
    ethyl propionate 299.75
    nitromethane 1258.68
    1,2-diethoxyethane 611.89
    benzonitrile 430.24
    trioctyl phosphate 55.77
    1-bromopropane 514.88
    gamma-valerolactone 1090.1
    n-decanol 52.82
    triethyl phosphate 107.73
    4-methyl-2-pentanol 217.28
    propionitrile 597.89
    vinylene carbonate 575.77
    1,1,2-trichlorotrifluoroethane 734.82
    DMS 278.16
    cumene 86.19
    2-octanol 49.78
    2-hexanone 249.13
    octyl acetate 87.43
    limonene 97.03
    1,2-dimethoxyethane 823.53
    ethyl orthosilicate 107.96
    tributyl phosphate 79.69
    diacetone alcohol 434.38
    N,N-dimethylaniline 170.67
    acrylonitrile 772.76
    aniline 625.48
    1,3-propanediol 732.89
    bromobenzene 608.69
    dibromomethane 1113.91
    1,1,2,2-tetrachloroethane 1365.22
    2-methyl-cyclohexyl acetate 156.33
    tetrabutyl urea 83.23
    diisobutyl methanol 94.53
    2-phenylethanol 266.86
    styrene 187.17
    dioctyl adipate 112.16
    dimethyl sulfate 325.98
    ethyl butyrate 249.79
    methyl lactate 309.61
    butyl lactate 147.11
    diethyl carbonate 183.72
    propanediol butyl ether 232.9
    triethyl orthoformate 173.4
    p-tert-butyltoluene 78.51
    methyl 4-tert-butylbenzoate 180.45
    morpholine 1471.25
    tert-butylamine 331.4
    n-dodecanol 43.16
    dimethoxymethane 984.86
    ethylene carbonate 562.39
    cyrene 203.98
    2-ethoxyethyl acetate 355.16
    2-ethylhexyl acetate 208.91
    1,2,4-trichlorobenzene 447.81
    4-methylpyridine 743.34
    dibutyl ether 120.66
    2,6-dimethyl-4-heptanol 94.53
    DEF 418.67
    dimethyl isosorbide 369.46
    tetrachloroethylene 960.19
    eugenol 187.36
    triacetin 262.84
    span 80 173.22
    1,4-butanediol 213.07
    1,1-dichloroethane 1197.63
    2-methyl-1-pentanol 198.55
    methyl formate 605.85
    2-methyl-1-butanol 320.21
    n-decane 10.81
    butyronitrile 596.48
    3,7-dimethyl-1-octanol 101.57
    1-chlorooctane 51.78
    1-chlorotetradecane 23.85
    n-nonane 9.18
    undecane 8.59
    tert-butylcyclohexane 21.49
    cyclooctane 25.2
    cyclopentanol 368.46
    tetrahydropyran 1093.23
    tert-amyl methyl ether 216.92
    2,5,8-trioxanonane 527.37
    1-hexene 66.48
    2-isopropoxyethanol 366.93
    2,2,2-trifluoroethanol 406.19
    methyl butyrate 356.71

    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