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

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  • Identifiers

    CAS number
    72927-85-6

    Molecular formula
    C12H16O2

    SMILES
    C1C=CC2C1C3CC2CC3OCC=O

  • Odor profile

    Fragrance
    Fruity 80.85%
    Floral 49.82%
    Woody 45.74%
    Herbal 44.92%
    Green 42.47%
    Fresh 36.88%
    Sweet 33.46%
    Aldehydic 31.49%
    Jasmin 27.96%
    Oily 27.67%

     

    Flavor
    Bitter 50.27%
    Fatty 23.03%
    Alkaline 22.14%
    Shrimp 21.58%
    Cauliflower 20.53%
    Cedarleaf 20.3%
    Sweet-like 20.23%
    Cereal 20.02%
    Naphthalic 19.6%
    Cinnamic 19.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.21 (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

    • 114.03 ˚C est.

  • Synonyms

    • 72927-85-6
    • Acetaldehyde, ((3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy)-
    • DTXSID80868201
    • Acetaldehyde, [(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]-
    • Acetaldehyde, 2-((3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy)-
    • Acetaldehyde, 2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]-
    • SCHEMBL225367
    • DTXCID50816330
    • IKAWYZAMQMXCJD-UHFFFAOYSA-N
    • NS00122239
    • ((3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy) acetaldehyde
    • 2-((3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl)oxy)acetaldehyde

  • Applications

    Acetaldehyde, 2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]- (CAS 72927-85-6) is primarily used as a fragrance ingredient and odorant in perfumery, providing characteristic woody and amber-like notes; it may also serve as an aroma component in cosmetics and personal care formulations; in household products it can be added as a fragrance additive for air fresheners and cleaners; in industrial manufacturing it is used as an intermediate in the synthesis of specialty chemicals; as a chemical building block it may participate in polymer and plastics formulations for functional materials; and in coatings or inks it can act as a reactive aldehyde intermediate depending on formulation and regulatory constraints; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 709.49
    methanol 1120.34
    isopropanol 574.05
    water 7.83
    ethyl acetate 1171.95
    n-propanol 567.04
    acetone 1198.42
    n-butanol 543.39
    acetonitrile 956.29
    DMF 680.2
    toluene 563.13
    isobutanol 382.44
    1,4-dioxane 1761.54
    methyl acetate 765.93
    THF 1710.79
    2-butanone 713.1
    n-pentanol 240.07
    sec-butanol 276.61
    n-hexane 15.08
    ethylene glycol 296.98
    NMP 358.44
    cyclohexane 70.22
    DMSO 1129.48
    n-butyl acetate 390.4
    n-octanol 77.2
    chloroform 2449.18
    n-propyl acetate 370.08
    acetic acid 781.02
    dichloromethane 2233.79
    cyclohexanone 791.57
    propylene glycol 247.85
    isopropyl acetate 665.21
    DMAc 354.17
    2-ethoxyethanol 598.65
    isopentanol 494.99
    n-heptane 14.98
    ethyl formate 603.1
    1,2-dichloroethane 1389.93
    n-hexanol 232.08
    2-methoxyethanol 1242.07
    isobutyl acetate 249.69
    tetrachloromethane 316.42
    n-pentyl acetate 162.41
    transcutol 2680.18
    n-heptanol 88.06
    ethylbenzene 142.67
    MIBK 468.9
    2-propoxyethanol 635.69
    tert-butanol 563.31
    MTBE 499.57
    2-butoxyethanol 268.1
    propionic acid 484.38
    o-xylene 220.74
    formic acid 485.64
    diethyl ether 794.0
    m-xylene 337.39
    p-xylene 166.94
    chlorobenzene 628.46
    dimethyl carbonate 417.83
    n-octane 6.74
    formamide 701.76
    cyclopentanone 927.54
    2-pentanone 715.88
    anisole 412.15
    cyclopentyl methyl ether 675.15
    gamma-butyrolactone 1093.95
    1-methoxy-2-propanol 908.1
    pyridine 1066.8
    3-pentanone 448.19
    furfural 950.26
    n-dodecane 7.38
    diethylene glycol 720.17
    diisopropyl ether 205.66
    tert-amyl alcohol 248.91
    acetylacetone 926.75
    n-hexadecane 8.63
    acetophenone 304.5
    methyl propionate 638.47
    isopentyl acetate 332.15
    trichloroethylene 2203.21
    n-nonanol 71.59
    cyclohexanol 407.05
    benzyl alcohol 322.2
    2-ethylhexanol 117.61
    isooctanol 79.44
    dipropyl ether 177.55
    1,2-dichlorobenzene 475.76
    ethyl lactate 193.2
    propylene carbonate 619.54
    n-methylformamide 723.92
    2-pentanol 317.98
    n-pentane 27.82
    1-propoxy-2-propanol 365.28
    1-methoxy-2-propyl acetate 535.71
    2-(2-methoxypropoxy) propanol 289.44
    mesitylene 194.4
    ε-caprolactone 639.68
    p-cymene 87.13
    epichlorohydrin 1663.51
    1,1,1-trichloroethane 995.27
    2-aminoethanol 403.93
    morpholine-4-carbaldehyde 712.17
    sulfolane 737.18
    2,2,4-trimethylpentane 19.24
    2-methyltetrahydrofuran 897.49
    n-hexyl acetate 215.72
    isooctane 24.69
    2-(2-butoxyethoxy)ethanol 433.28
    sec-butyl acetate 270.11
    tert-butyl acetate 497.02
    decalin 27.72
    glycerin 412.75
    diglyme 919.74
    acrylic acid 474.09
    isopropyl myristate 83.41
    n-butyric acid 797.08
    acetyl acetate 680.61
    di(2-ethylhexyl) phthalate 96.31
    ethyl propionate 328.63
    nitromethane 1384.43
    1,2-diethoxyethane 660.13
    benzonitrile 460.86
    trioctyl phosphate 61.61
    1-bromopropane 552.3
    gamma-valerolactone 1203.26
    n-decanol 55.65
    triethyl phosphate 119.13
    4-methyl-2-pentanol 219.6
    propionitrile 616.82
    vinylene carbonate 622.33
    1,1,2-trichlorotrifluoroethane 817.62
    DMS 314.53
    cumene 94.36
    2-octanol 53.18
    2-hexanone 284.83
    octyl acetate 96.36
    limonene 106.79
    1,2-dimethoxyethane 838.7
    ethyl orthosilicate 116.9
    tributyl phosphate 90.34
    diacetone alcohol 466.16
    N,N-dimethylaniline 189.71
    acrylonitrile 799.7
    aniline 645.74
    1,3-propanediol 695.6
    bromobenzene 676.49
    dibromomethane 1218.57
    1,1,2,2-tetrachloroethane 1478.61
    2-methyl-cyclohexyl acetate 173.01
    tetrabutyl urea 93.24
    diisobutyl methanol 97.5
    2-phenylethanol 282.96
    styrene 204.6
    dioctyl adipate 124.46
    dimethyl sulfate 377.84
    ethyl butyrate 273.22
    methyl lactate 328.77
    butyl lactate 166.3
    diethyl carbonate 198.46
    propanediol butyl ether 253.7
    triethyl orthoformate 188.1
    p-tert-butyltoluene 85.2
    methyl 4-tert-butylbenzoate 201.83
    morpholine 1475.1
    tert-butylamine 318.66
    n-dodecanol 44.74
    dimethoxymethane 1031.31
    ethylene carbonate 597.39
    cyrene 228.62
    2-ethoxyethyl acetate 386.81
    2-ethylhexyl acetate 230.22
    1,2,4-trichlorobenzene 507.68
    4-methylpyridine 793.54
    dibutyl ether 133.42
    2,6-dimethyl-4-heptanol 97.5
    DEF 454.45
    dimethyl isosorbide 416.98
    tetrachloroethylene 1052.19
    eugenol 207.37
    triacetin 298.98
    span 80 185.44
    1,4-butanediol 209.35
    1,1-dichloroethane 1298.52
    2-methyl-1-pentanol 202.49
    methyl formate 668.0
    2-methyl-1-butanol 323.37
    n-decane 11.24
    butyronitrile 589.12
    3,7-dimethyl-1-octanol 108.42
    1-chlorooctane 57.53
    1-chlorotetradecane 25.26
    n-nonane 9.63
    undecane 8.86
    tert-butylcyclohexane 23.83
    cyclooctane 26.69
    cyclopentanol 384.72
    tetrahydropyran 1135.47
    tert-amyl methyl ether 239.07
    2,5,8-trioxanonane 558.56
    1-hexene 74.84
    2-isopropoxyethanol 369.76
    2,2,2-trifluoroethanol 433.49
    methyl butyrate 382.67

    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