Isolongifolene

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  • Identifiers

    CAS number
    1135-66-6

    Molecular formula
    C15H24

    SMILES
    CC1(CCC=C2[C@@]13CC[C@@H](C3)C2(C)C)C

    Safety labels

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1387.0

  • Odor profile

    Woody 90.63%
    Dry 57.42%
    Amber 54.65%
    Cedar 43.85%
    Sweet 40.24%
    Spicy 37.52%
    Vetiver 33.68%
    Musk 33.49%
    Balsamic 32.96%
    Camphoreous 32.88%

    Scent© AI

  • Properties

    XLogP3-AA
    5.0

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    256°C

    Flash point est.
    108.37 ˚C

  • Synonyms

    • Isolongifolene
    • (-)-Isolongifolene
    • 1135-66-6
    • iso-Longifolene
    • Isolongifolene, (-)-
    • (+/-)-Isolongifolene
    • Isolongifolene, (+/-)-
    • E0LN4V7EY4
    • PX6N25M90H
    • DTXSID1044518
    • EINECS 214-494-2
    • UNII-PX6N25M90H
    • 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-
    • DTXCID9024518
    • 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-
    • 17015-38-2
    • (2S)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
    • 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (+/-)-
    • 2H-2,4a-Methanonaphthalene,1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-
    • (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
    • 2H-2alpha,4aalpha-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (+/-)-
    • 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-(-)-
    • UNII-E0LN4V7EY4
    • MFCD00042616
    • (1R)-2,2,7,7-Tetramethyltricyclo[6.2.1.01.6]undec-5-ene
    • CHEMBL3183415
    • CQUAYTJDLQBXCQ-NHYWBVRUSA-N
    • HY-N7363
    • Tox21_302253
    • NCGC00255851-01
    • CAS-1135-66-6
    • CS-0113874
    • NS00012552
    • Q63392412
    • (-)-Isolongifolene, >=98.0% (sum of enantiomers, GC)
    • (1R,8S)-2,2,7,7-TETRAMETHYLTRICYCLO[6.2.1.0(1),?]UNDEC-5-ENE
    • 2H-2.ALPHA.,4A.ALPHA.-METHANONAPHTHALENE, 1,3,4,5,6,7-HEXAHYDRO-1,1,5,5-TETRAMETHYL-, (+/-)-

  • Applications

    Isolongifolene (CAS 1135-66-6) is a bicyclic sesquiterpene obtainable from pine/turpentine sources, widely applied in perfumery for dry woody-amber, resinous and slightly spicy nuances, acting as a character builder and fixative in fine fragrances, soaps, detergents, deodorizing and air-care products; it also serves as a versatile intermediate to prepare oxidized derivatives such as isolongifolenone and related ketones, alcohols and epoxides used in modern amber/woody odorants and explored as precursors to insect-repellent molecules, while providing a stereochemically rich hydrocarbon scaffold for studies in organic synthesis, selective catalytic functionalization and biotransformations, and as an analytical reference in GC-MS profiling of essential oils and terpenes, with usage guided by IFRA and applicable safety regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.3
    methanol 81.81
    isopropanol 112.78
    water 0.7
    ethyl acetate 326.8
    n-propanol 125.82
    acetone 354.34
    n-butanol 138.61
    acetonitrile 192.26
    DMF 435.93
    toluene 509.82
    isobutanol 115.93
    1,4-dioxane 607.11
    methyl acetate 279.26
    THF 1116.87
    2-butanone 330.08
    n-pentanol 92.85
    sec-butanol 109.88
    n-hexane 82.79
    ethylene glycol 25.49
    NMP 432.95
    cyclohexane 146.21
    DMSO 174.43
    n-butyl acetate 334.65
    n-octanol 136.0
    chloroform 669.55
    n-propyl acetate 205.85
    acetic acid 73.35
    dichloromethane 542.03
    cyclohexanone 585.08
    propylene glycol 36.93
    isopropyl acetate 308.69
    DMAc 362.57
    2-ethoxyethanol 130.56
    isopentanol 138.05
    n-heptane 94.89
    ethyl formate 154.65
    1,2-dichloroethane 394.62
    n-hexanol 223.22
    2-methoxyethanol 211.05
    isobutyl acetate 207.05
    tetrachloromethane 202.13
    n-pentyl acetate 240.18
    transcutol 355.26
    n-heptanol 144.23
    ethylbenzene 241.39
    MIBK 292.13
    2-propoxyethanol 353.75
    tert-butanol 158.33
    MTBE 296.08
    2-butoxyethanol 224.83
    propionic acid 110.27
    o-xylene 299.38
    formic acid 20.82
    diethyl ether 349.14
    m-xylene 398.04
    p-xylene 297.33
    chlorobenzene 385.31
    dimethyl carbonate 210.58
    n-octane 46.95
    formamide 45.97
    cyclopentanone 754.93
    2-pentanone 341.96
    anisole 364.08
    cyclopentyl methyl ether 594.23
    gamma-butyrolactone 612.81
    1-methoxy-2-propanol 231.76
    pyridine 458.46
    3-pentanone 314.74
    furfural 444.76
    n-dodecane 32.13
    diethylene glycol 169.0
    diisopropyl ether 206.01
    tert-amyl alcohol 134.5
    acetylacetone 451.59
    n-hexadecane 38.76
    acetophenone 287.82
    methyl propionate 301.86
    isopentyl acetate 351.6
    trichloroethylene 631.88
    n-nonanol 132.95
    cyclohexanol 203.25
    benzyl alcohol 169.47
    2-ethylhexanol 176.82
    isooctanol 127.31
    dipropyl ether 324.13
    1,2-dichlorobenzene 383.09
    ethyl lactate 112.02
    propylene carbonate 346.83
    n-methylformamide 149.64
    2-pentanol 124.62
    n-pentane 82.77
    1-propoxy-2-propanol 277.35
    1-methoxy-2-propyl acetate 416.64
    2-(2-methoxypropoxy) propanol 203.04
    mesitylene 289.89
    ε-caprolactone 441.72
    p-cymene 191.53
    epichlorohydrin 606.46
    1,1,1-trichloroethane 481.57
    2-aminoethanol 51.76
    morpholine-4-carbaldehyde 505.96
    sulfolane 530.45
    2,2,4-trimethylpentane 49.74
    2-methyltetrahydrofuran 581.57
    n-hexyl acetate 310.0
    isooctane 55.84
    2-(2-butoxyethoxy)ethanol 234.73
    sec-butyl acetate 196.23
    tert-butyl acetate 371.53
    decalin 90.32
    glycerin 57.37
    diglyme 479.03
    acrylic acid 92.03
    isopropyl myristate 170.51
    n-butyric acid 172.19
    acetyl acetate 271.56
    di(2-ethylhexyl) phthalate 128.42
    ethyl propionate 242.73
    nitromethane 213.64
    1,2-diethoxyethane 275.48
    benzonitrile 279.09
    trioctyl phosphate 110.96
    1-bromopropane 299.61
    gamma-valerolactone 732.24
    n-decanol 102.55
    triethyl phosphate 155.67
    4-methyl-2-pentanol 113.6
    propionitrile 239.94
    vinylene carbonate 323.99
    1,1,2-trichlorotrifluoroethane 270.23
    DMS 324.78
    cumene 176.45
    2-octanol 110.65
    2-hexanone 220.82
    octyl acetate 181.94
    limonene 231.19
    1,2-dimethoxyethane 350.29
    ethyl orthosilicate 157.18
    tributyl phosphate 126.32
    diacetone alcohol 247.16
    N,N-dimethylaniline 254.17
    acrylonitrile 243.19
    aniline 277.04
    1,3-propanediol 92.12
    bromobenzene 474.82
    dibromomethane 390.1
    1,1,2,2-tetrachloroethane 501.81
    2-methyl-cyclohexyl acetate 245.76
    tetrabutyl urea 157.85
    diisobutyl methanol 136.93
    2-phenylethanol 260.48
    styrene 269.5
    dioctyl adipate 186.34
    dimethyl sulfate 273.43
    ethyl butyrate 266.39
    methyl lactate 140.49
    butyl lactate 154.97
    diethyl carbonate 184.52
    propanediol butyl ether 139.14
    triethyl orthoformate 219.82
    p-tert-butyltoluene 208.86
    methyl 4-tert-butylbenzoate 313.9
    morpholine 505.21
    tert-butylamine 135.81
    n-dodecanol 81.51
    dimethoxymethane 463.99
    ethylene carbonate 300.1
    cyrene 192.72
    2-ethoxyethyl acetate 291.02
    2-ethylhexyl acetate 314.47
    1,2,4-trichlorobenzene 411.33
    4-methylpyridine 502.75
    dibutyl ether 211.0
    2,6-dimethyl-4-heptanol 136.93
    DEF 328.04
    dimethyl isosorbide 419.6
    tetrachloroethylene 355.33
    eugenol 241.22
    triacetin 266.19
    span 80 173.91
    1,4-butanediol 38.58
    1,1-dichloroethane 389.09
    2-methyl-1-pentanol 95.81
    methyl formate 140.12
    2-methyl-1-butanol 125.5
    n-decane 56.11
    butyronitrile 232.76
    3,7-dimethyl-1-octanol 144.72
    1-chlorooctane 153.31
    1-chlorotetradecane 73.23
    n-nonane 53.57
    undecane 41.4
    tert-butylcyclohexane 82.68
    cyclooctane 95.29
    cyclopentanol 210.92
    tetrahydropyran 598.65
    tert-amyl methyl ether 236.16
    2,5,8-trioxanonane 313.43
    1-hexene 162.19
    2-isopropoxyethanol 123.09
    2,2,2-trifluoroethanol 63.13
    methyl butyrate 252.49

    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
Juniper branch 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.5%
Vassoura (Brazil) 2 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.01%
Eucalyptus globulus (Algeria) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Pinus oocarpa (Venezuela) Pinus oocarpa Schiede, fam. Pineaceae 1.1%
Eucalyptus resinifera (Cuba) Eucalyptus resinifera Smith, fam. Myrtaceae 0.01%
Corymbia maculata (Cuba) Corymbia maculata (Hook.) K.D. Hill & L.A.S. Johnson, fam. Myrtaceae 0.01%
Conyza bonariensis (Brazil) Conyza bonariensis (L.) Cronquist, fam. Asteraceae (Compositae) 0.1%
Satureja boliviana (Argentina) Satureja boliviana Briq. (Micromeria boliviana Benth.), fam. Lamiaceae 0.1%