Scentenal

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  • Identifiers

    CAS number
    86803-90-9

    Molecular formula
    C12H18O2

    SMILES
    COC1CC2CC1C3C2CC(C3)C=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 72.68%
    Woody 60.75%
    Fresh 53.94%
    Green 51.94%
    Aldehydic 48.44%
    Herbal 42.32%
    Muguet 35.62%
    Ozone 34.9%
    Fruity 33.47%
    Lily 31.15%

     

    Flavor
    Bitter 48.59%
    Fruity 26.33%
    Floral 25.17%
    Fatty 23.31%
    Sweet 22.58%
    Alkaline 22.31%
    Herbal 22.3%
    Fruit 22.14%
    Cedarleaf 21.62%
    Shrimp 21.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.69 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    295°C

    Flash point

    • 102.22 ˚C est.

  • Synonyms

    • Scentenal
    • 86803-90-9
    • Octahydro-5-methoxy-4,7-methano-1(H)-indene-2-carboxaldehyde
    • AUK25Q8UTG
    • 4,7-Methano-1H-indene-2-carboxaldehyde, octahydro-5-methoxy-
    • 8-methoxytricyclo[5.2.1.02,6]decane-4-carbaldehyde
    • 6-Methoxy dicyclopentadiene carboxaldehyde
    • Octahydro-5-methoxy-4,7-methano-1H-indene-2-carboxaldehyde
    • 8-Methoxytricyclo(5.2.2.1)decane-4-carboxaldehyde
    • 5-METHOXYOCTAHYDRO-1H-4,7-METHANOINDENE-2-CARBOXALDEHYDE
    • SCENTENAL(R)
    • UNII-AUK25Q8UTG
    • SCHEMBL230817
    • DTXSID6052586
    • UOGMZEGKCNHMBF-UHFFFAOYSA-N
    • 6-methoxydicyclopentadienecarboxaldehyde
    • NS00013190
    • 5-Methoxyoctahydro-1H-4,7-methanoindene-2-carbaldehyde
    • 429-860-9
    • 617-923-5

  • Applications

    Scentenal (CAS 86803-90-9) is an aroma chemical used mainly as an odorant and fragrance ingredient in the perfumery industry to provide or enhance the scent profile of formulations. In cosmetics and personal care, it can serve as a fragrance component in products such as creams, lotions, and perfumes; in household products such as laundry detergents, dishwashing liquids, and air fresheners, it is considered a potential application to impart scent; in the coatings and inks field, it can be incorporated into formulations to impart a distinctive aroma; and in polymers and plastics, Scentenal can be deployed via encapsulation technology to control and release fragrance in the final product. These applications are typically considered within fragrance formulation work and are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1034.12
    methanol 1719.35
    isopropanol 1141.03
    water 32.19
    ethyl acetate 1269.54
    n-propanol 811.28
    acetone 1432.92
    n-butanol 845.19
    acetonitrile 1453.46
    DMF 871.62
    toluene 611.93
    isobutanol 594.45
    1,4-dioxane 2103.88
    methyl acetate 887.73
    THF 2003.93
    2-butanone 773.42
    n-pentanol 278.08
    sec-butanol 400.78
    n-hexane 14.09
    ethylene glycol 346.75
    NMP 330.3
    cyclohexane 81.66
    DMSO 740.58
    n-butyl acetate 464.67
    n-octanol 116.24
    chloroform 3781.22
    n-propyl acetate 409.76
    acetic acid 1238.34
    dichloromethane 2963.51
    cyclohexanone 955.9
    propylene glycol 292.43
    isopropyl acetate 815.95
    DMAc 375.39
    2-ethoxyethanol 690.11
    isopentanol 709.22
    n-heptane 19.57
    ethyl formate 990.61
    1,2-dichloroethane 1472.75
    n-hexanol 332.5
    2-methoxyethanol 1586.17
    isobutyl acetate 293.07
    tetrachloromethane 521.51
    n-pentyl acetate 212.42
    transcutol 1759.71
    n-heptanol 141.7
    ethylbenzene 169.99
    MIBK 549.47
    2-propoxyethanol 786.73
    tert-butanol 953.21
    MTBE 553.87
    2-butoxyethanol 366.99
    propionic acid 630.69
    o-xylene 267.56
    formic acid 648.96
    diethyl ether 752.9
    m-xylene 381.53
    p-xylene 234.87
    chlorobenzene 819.1
    dimethyl carbonate 380.22
    n-octane 11.08
    formamide 874.8
    cyclopentanone 1142.61
    2-pentanone 756.06
    anisole 427.74
    cyclopentyl methyl ether 619.33
    gamma-butyrolactone 1376.85
    1-methoxy-2-propanol 1091.47
    pyridine 1317.14
    3-pentanone 409.33
    furfural 1291.63
    n-dodecane 11.77
    diethylene glycol 811.7
    diisopropyl ether 209.76
    tert-amyl alcohol 321.36
    acetylacetone 1010.5
    n-hexadecane 13.57
    acetophenone 341.37
    methyl propionate 619.74
    isopentyl acetate 422.68
    trichloroethylene 2584.66
    n-nonanol 105.28
    cyclohexanol 549.28
    benzyl alcohol 381.61
    2-ethylhexanol 151.53
    isooctanol 121.89
    dipropyl ether 195.79
    1,2-dichlorobenzene 618.28
    ethyl lactate 219.62
    propylene carbonate 891.07
    n-methylformamide 1021.99
    2-pentanol 419.83
    n-pentane 34.19
    1-propoxy-2-propanol 439.78
    1-methoxy-2-propyl acetate 568.11
    2-(2-methoxypropoxy) propanol 261.69
    mesitylene 229.39
    ε-caprolactone 745.69
    p-cymene 115.05
    epichlorohydrin 1791.4
    1,1,1-trichloroethane 1436.14
    2-aminoethanol 507.82
    morpholine-4-carbaldehyde 817.45
    sulfolane 706.9
    2,2,4-trimethylpentane 22.44
    2-methyltetrahydrofuran 906.04
    n-hexyl acetate 266.78
    isooctane 30.01
    2-(2-butoxyethoxy)ethanol 405.81
    sec-butyl acetate 302.16
    tert-butyl acetate 588.49
    decalin 30.11
    glycerin 471.79
    diglyme 904.79
    acrylic acid 591.54
    isopropyl myristate 108.38
    n-butyric acid 1234.95
    acetyl acetate 893.18
    di(2-ethylhexyl) phthalate 116.13
    ethyl propionate 356.61
    nitromethane 1866.84
    1,2-diethoxyethane 526.3
    benzonitrile 648.78
    trioctyl phosphate 77.19
    1-bromopropane 602.23
    gamma-valerolactone 1494.63
    n-decanol 79.2
    triethyl phosphate 125.28
    4-methyl-2-pentanol 285.65
    propionitrile 944.77
    vinylene carbonate 983.92
    1,1,2-trichlorotrifluoroethane 937.78
    DMS 300.73
    cumene 117.86
    2-octanol 83.01
    2-hexanone 299.64
    octyl acetate 120.95
    limonene 130.46
    1,2-dimethoxyethane 965.13
    ethyl orthosilicate 126.72
    tributyl phosphate 102.38
    diacetone alcohol 502.18
    N,N-dimethylaniline 198.02
    acrylonitrile 1199.09
    aniline 740.62
    1,3-propanediol 992.19
    bromobenzene 863.49
    dibromomethane 1643.58
    1,1,2,2-tetrachloroethane 1749.47
    2-methyl-cyclohexyl acetate 193.94
    tetrabutyl urea 104.99
    diisobutyl methanol 132.75
    2-phenylethanol 359.52
    styrene 222.61
    dioctyl adipate 142.38
    dimethyl sulfate 356.75
    ethyl butyrate 324.39
    methyl lactate 366.57
    butyl lactate 183.96
    diethyl carbonate 240.49
    propanediol butyl ether 266.23
    triethyl orthoformate 210.28
    p-tert-butyltoluene 113.64
    methyl 4-tert-butylbenzoate 245.03
    morpholine 1584.98
    tert-butylamine 505.38
    n-dodecanol 62.43
    dimethoxymethane 1022.18
    ethylene carbonate 919.69
    cyrene 230.59
    2-ethoxyethyl acetate 401.45
    2-ethylhexyl acetate 263.12
    1,2,4-trichlorobenzene 604.71
    4-methylpyridine 1067.32
    dibutyl ether 147.05
    2,6-dimethyl-4-heptanol 132.75
    DEF 459.11
    dimethyl isosorbide 417.79
    tetrachloroethylene 1227.66
    eugenol 247.74
    triacetin 301.68
    span 80 203.04
    1,4-butanediol 277.05
    1,1-dichloroethane 1733.99
    2-methyl-1-pentanol 232.33
    methyl formate 941.75
    2-methyl-1-butanol 410.26
    n-decane 18.36
    butyronitrile 992.43
    3,7-dimethyl-1-octanol 139.4
    1-chlorooctane 81.89
    1-chlorotetradecane 36.6
    n-nonane 15.84
    undecane 14.21
    tert-butylcyclohexane 27.22
    cyclooctane 28.87
    cyclopentanol 554.97
    tetrahydropyran 1209.39
    tert-amyl methyl ether 231.53
    2,5,8-trioxanonane 490.69
    1-hexene 74.67
    2-isopropoxyethanol 419.87
    2,2,2-trifluoroethanol 662.18
    methyl butyrate 461.27

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.19 % Category 7A
Rinse-off products applied to the hair with some hand contact
 2.2 %
Category 2
Products applied to the axillae
 0.057 % Category 7B
Leave-on products applied to the hair with some hand contact
 2.2 %
Category 3
Products applied to the face/body using fingertips
 1.2 % Category 8
Products with significant anogenital exposure
 0.091 %
Category 4
Products related to fine fragrance
 1.1 % Category 9
Products with body and hand exposure, primarily rinse off
 2.1 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.27 % Category 10A
Household care products with mostly hand contact
 2.1 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.27 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 7.5 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.27 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.091 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.091 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.091 %
Category 6
Products with oral and lip exposure
 0.63 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction