Isolongifolone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    23787-90-8

    Molecular formula
    C15H24O

    SMILES
    CC1(CCC(=O)C2C13CCC(C3)C2(C)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1611.0

  • Odor profile

    Woody 91.6%
    Cedar 61.9%
    Amber 59.34%
    Dry 59.09%
    Camphoreous 53.79%
    Earthy 47.5%
    Vetiver 43.52%
    Pine 41.76%
    Spicy 40.84%
    Tobacco 39.17%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    308°C

    Flash point est.
    124.72 ˚C

  • Synonyms

    • Isolongifolone
    • 23787-90-8
    • 1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
    • Isolongifolanone
    • Isolongifolene ketone exo
    • 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-
    • Isolongifolanone- parent
    • 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undecan-5-one
    • SCHEMBL273852
    • 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
    • DTXSID2047228
    • AKOS025405131
    • AS-76432
    • FI175569
    • NS00012556
    • 2,2,7,7-tetramethyltricyclo[6.2.1.0,undecan-5-one
    • 2,2,7,7-tetramethyltricyclo[6.2.1.0(1),]undecan-5-one
    • 1,1,5,5-tetramethyl-hexahydro-2,4-a-methano-naphthalen-8-one
    • 1,1,5,5-tetramethyl-hexahydro-2,4a-methano-naphthalene-8-one
    • 1,1,5,5-tetramethylhexahydro-2h-2,4a-methano-naphthalene-8-one
    • 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-
    • 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene-8(5H)-one
    • 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-, (2.alpha.,4a.alpha.,8a.beta.)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 264.07
    methanol 333.71
    isopropanol 294.16
    water 6.55
    ethyl acetate 553.4
    n-propanol 277.27
    acetone 770.93
    n-butanol 263.48
    acetonitrile 587.51
    DMF 941.09
    toluene 613.11
    isobutanol 218.67
    1,4-dioxane 1028.18
    methyl acetate 547.94
    THF 1849.03
    2-butanone 588.25
    n-pentanol 133.16
    sec-butanol 194.27
    n-hexane 28.8
    ethylene glycol 107.64
    NMP 610.96
    cyclohexane 77.51
    DMSO 430.76
    n-butyl acetate 299.46
    n-octanol 131.61
    chloroform 1446.06
    n-propyl acetate 256.8
    acetic acid 237.06
    dichloromethane 1103.0
    cyclohexanone 858.44
    propylene glycol 118.92
    isopropyl acetate 416.69
    DMAc 508.54
    2-ethoxyethanol 238.92
    isopentanol 216.98
    n-heptane 27.04
    ethyl formate 354.96
    1,2-dichloroethane 706.55
    n-hexanol 233.36
    2-methoxyethanol 537.51
    isobutyl acetate 200.06
    tetrachloromethane 277.41
    n-pentyl acetate 231.11
    transcutol 436.12
    n-heptanol 145.78
    ethylbenzene 234.48
    MIBK 365.56
    2-propoxyethanol 486.49
    tert-butanol 290.46
    MTBE 333.17
    2-butoxyethanol 286.42
    propionic acid 264.32
    o-xylene 309.22
    formic acid 122.35
    diethyl ether 402.13
    m-xylene 422.55
    p-xylene 303.63
    chlorobenzene 571.84
    dimethyl carbonate 327.73
    n-octane 16.67
    formamide 217.69
    cyclopentanone 1254.14
    2-pentanone 531.48
    anisole 413.92
    cyclopentyl methyl ether 685.53
    gamma-butyrolactone 1252.97
    1-methoxy-2-propanol 507.76
    pyridine 828.63
    3-pentanone 400.58
    furfural 864.67
    n-dodecane 13.55
    diethylene glycol 340.86
    diisopropyl ether 162.62
    tert-amyl alcohol 181.95
    acetylacetone 686.14
    n-hexadecane 16.46
    acetophenone 340.48
    methyl propionate 470.77
    isopentyl acetate 289.15
    trichloroethylene 1265.29
    n-nonanol 123.15
    cyclohexanol 305.38
    benzyl alcohol 268.7
    2-ethylhexanol 131.74
    isooctanol 118.1
    dipropyl ether 183.49
    1,2-dichlorobenzene 475.84
    ethyl lactate 158.19
    propylene carbonate 589.91
    n-methylformamide 514.95
    2-pentanol 185.74
    n-pentane 40.42
    1-propoxy-2-propanol 314.14
    1-methoxy-2-propyl acetate 413.72
    2-(2-methoxypropoxy) propanol 206.98
    mesitylene 259.05
    ε-caprolactone 652.98
    p-cymene 128.05
    epichlorohydrin 1221.99
    1,1,1-trichloroethane 766.25
    2-aminoethanol 169.52
    morpholine-4-carbaldehyde 746.54
    sulfolane 861.93
    2,2,4-trimethylpentane 23.43
    2-methyltetrahydrofuran 791.42
    n-hexyl acetate 302.59
    isooctane 25.96
    2-(2-butoxyethoxy)ethanol 260.7
    sec-butyl acetate 213.95
    tert-butyl acetate 415.37
    decalin 41.62
    glycerin 187.63
    diglyme 542.72
    acrylic acid 249.51
    isopropyl myristate 124.71
    n-butyric acid 362.7
    acetyl acetate 425.73
    di(2-ethylhexyl) phthalate 116.84
    ethyl propionate 288.43
    nitromethane 711.22
    1,2-diethoxyethane 233.71
    benzonitrile 450.45
    trioctyl phosphate 93.0
    1-bromopropane 400.08
    gamma-valerolactone 1321.83
    n-decanol 88.31
    triethyl phosphate 121.51
    4-methyl-2-pentanol 140.06
    propionitrile 524.92
    vinylene carbonate 597.14
    1,1,2-trichlorotrifluoroethane 539.09
    DMS 377.46
    cumene 147.53
    2-octanol 105.94
    2-hexanone 253.29
    octyl acetate 148.6
    limonene 147.86
    1,2-dimethoxyethane 483.45
    ethyl orthosilicate 115.66
    tributyl phosphate 107.62
    diacetone alcohol 360.33
    N,N-dimethylaniline 239.1
    acrylonitrile 649.2
    aniline 449.04
    1,3-propanediol 265.4
    bromobenzene 621.38
    dibromomethane 692.72
    1,1,2,2-tetrachloroethane 893.21
    2-methyl-cyclohexyl acetate 188.05
    tetrabutyl urea 128.12
    diisobutyl methanol 98.97
    2-phenylethanol 314.45
    styrene 264.36
    dioctyl adipate 146.78
    dimethyl sulfate 429.1
    ethyl butyrate 221.61
    methyl lactate 249.55
    butyl lactate 180.22
    diethyl carbonate 164.67
    propanediol butyl ether 208.01
    triethyl orthoformate 166.8
    p-tert-butyltoluene 137.39
    methyl 4-tert-butylbenzoate 295.44
    morpholine 902.59
    tert-butylamine 183.77
    n-dodecanol 65.1
    dimethoxymethane 756.18
    ethylene carbonate 530.51
    cyrene 233.1
    2-ethoxyethyl acetate 317.01
    2-ethylhexyl acetate 228.28
    1,2,4-trichlorobenzene 501.76
    4-methylpyridine 808.52
    dibutyl ether 132.17
    2,6-dimethyl-4-heptanol 98.97
    DEF 406.62
    dimethyl isosorbide 400.15
    tetrachloroethylene 608.29
    eugenol 263.56
    triacetin 262.94
    span 80 182.65
    1,4-butanediol 95.02
    1,1-dichloroethane 764.39
    2-methyl-1-pentanol 115.75
    methyl formate 475.18
    2-methyl-1-butanol 189.55
    n-decane 24.39
    butyronitrile 450.96
    3,7-dimethyl-1-octanol 125.04
    1-chlorooctane 105.79
    1-chlorotetradecane 41.65
    n-nonane 22.41
    undecane 17.75
    tert-butylcyclohexane 38.47
    cyclooctane 33.95
    cyclopentanol 372.95
    tetrahydropyran 845.83
    tert-amyl methyl ether 220.6
    2,5,8-trioxanonane 320.72
    1-hexene 103.3
    2-isopropoxyethanol 186.87
    2,2,2-trifluoroethanol 205.83
    methyl butyrate 325.28

    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

Botanical

Name CAS Botanical Proportion
Sage, ssp. altissima (Cuba) Salvia officinalis L. ssp. altissima, fam. Lamiaceae (Labiatae) 0.01%
Argyranthemum adauctum ssp. adauctum Argyranthemum adauctum ssp.adauctum Humphries, fam.Asteraceae (Compositae) 0.9%