[3.2.1]Propellane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    19074-25-0

    Molecular formula
    C8H12

    SMILES
    C1CC23CCC2(C1)C3

  • Odor profile

    Woody 43.85%
    Dry 35.25%
    Waxy 33.96%
    Amber 30.27%
    Animal 25.79%
    Sweet 25.03%
    Musk 24.61%
    Clean 17.74%
    Green 17.62%
    Earthy 15.93%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    108.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    118°C

    Flash point est.
    12.38 ˚C

  • Synonyms

    • [3.2.1]Propellane
    • Tricyclo[3.2.1.01,5]octane
    • 19074-25-0
    • Tricyclo(3.2.1.01,5)octane
    • Tricyclo[3.2.1.0(1,5)]octane
    • DTXSID30940647
    • FYWVNXHGOQXBTP-UHFFFAOYSA-N
    • tricyclo[3,2,1,0 1,5]octane
    • Tricyclo[3.2.1.0~1,5~]octanato(3-)

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 174.17
    methanol 175.37
    isopropanol 151.84
    water 1.64
    ethyl acetate 358.22
    n-propanol 178.9
    acetone 228.13
    n-butanol 170.21
    acetonitrile 270.17
    DMF 217.36
    toluene 198.23
    isobutanol 121.49
    1,4-dioxane 484.63
    methyl acetate 288.42
    THF 465.84
    2-butanone 246.32
    n-pentanol 111.69
    sec-butanol 143.6
    n-hexane 63.25
    ethylene glycol 77.65
    NMP 141.26
    cyclohexane 80.78
    DMSO 155.88
    n-butyl acetate 196.43
    n-octanol 91.11
    chloroform 641.44
    n-propyl acetate 161.74
    acetic acid 165.56
    dichloromethane 479.84
    cyclohexanone 221.65
    propylene glycol 102.14
    isopropyl acetate 259.8
    DMAc 217.36
    2-ethoxyethanol 203.63
    isopentanol 142.96
    n-heptane 66.14
    ethyl formate 153.43
    1,2-dichloroethane 274.42
    n-hexanol 153.7
    2-methoxyethanol 289.44
    isobutyl acetate 127.55
    tetrachloromethane 164.11
    n-pentyl acetate 120.01
    transcutol 683.83
    n-heptanol 95.94
    ethylbenzene 121.71
    MIBK 181.24
    2-propoxyethanol 300.22
    tert-butanol 186.16
    MTBE 225.31
    2-butoxyethanol 184.01
    propionic acid 170.13
    o-xylene 131.01
    formic acid 72.86
    diethyl ether 320.73
    m-xylene 148.75
    p-xylene 141.21
    chlorobenzene 188.06
    dimethyl carbonate 163.51
    n-octane 28.4
    formamide 141.58
    cyclopentanone 261.37
    2-pentanone 215.36
    anisole 245.06
    cyclopentyl methyl ether 228.37
    gamma-butyrolactone 266.71
    1-methoxy-2-propanol 277.6
    pyridine 348.28
    3-pentanone 206.63
    furfural 254.3
    n-dodecane 20.88
    diethylene glycol 221.22
    diisopropyl ether 152.17
    tert-amyl alcohol 143.1
    acetylacetone 294.71
    n-hexadecane 23.84
    acetophenone 166.09
    methyl propionate 253.76
    isopentyl acetate 180.76
    trichloroethylene 481.8
    n-nonanol 93.08
    cyclohexanol 128.58
    benzyl alcohol 129.67
    2-ethylhexanol 108.97
    isooctanol 77.88
    dipropyl ether 245.23
    1,2-dichlorobenzene 181.9
    ethyl lactate 101.55
    propylene carbonate 191.18
    n-methylformamide 160.11
    2-pentanol 146.19
    n-pentane 69.72
    1-propoxy-2-propanol 249.88
    1-methoxy-2-propyl acetate 300.04
    2-(2-methoxypropoxy) propanol 187.02
    mesitylene 116.14
    ε-caprolactone 212.21
    p-cymene 94.47
    epichlorohydrin 335.64
    1,1,1-trichloroethane 331.58
    2-aminoethanol 135.86
    morpholine-4-carbaldehyde 255.6
    sulfolane 192.02
    2,2,4-trimethylpentane 36.63
    2-methyltetrahydrofuran 277.71
    n-hexyl acetate 166.31
    isooctane 40.18
    2-(2-butoxyethoxy)ethanol 252.58
    sec-butyl acetate 151.66
    tert-butyl acetate 255.31
    decalin 50.06
    glycerin 138.59
    diglyme 432.79
    acrylic acid 155.72
    isopropyl myristate 91.53
    n-butyric acid 213.14
    acetyl acetate 292.85
    di(2-ethylhexyl) phthalate 68.13
    ethyl propionate 200.9
    nitromethane 284.4
    1,2-diethoxyethane 310.04
    benzonitrile 156.91
    trioctyl phosphate 48.68
    1-bromopropane 202.14
    gamma-valerolactone 332.01
    n-decanol 72.77
    triethyl phosphate 99.66
    4-methyl-2-pentanol 117.6
    propionitrile 258.17
    vinylene carbonate 194.62
    1,1,2-trichlorotrifluoroethane 265.39
    DMS 185.95
    cumene 93.0
    2-octanol 59.46
    2-hexanone 142.31
    octyl acetate 95.61
    limonene 104.0
    1,2-dimethoxyethane 305.61
    ethyl orthosilicate 105.43
    tributyl phosphate 62.3
    diacetone alcohol 203.28
    N,N-dimethylaniline 151.95
    acrylonitrile 280.71
    aniline 194.14
    1,3-propanediol 160.64
    bromobenzene 211.55
    dibromomethane 329.39
    1,1,2,2-tetrachloroethane 385.47
    2-methyl-cyclohexyl acetate 127.62
    tetrabutyl urea 70.27
    diisobutyl methanol 100.45
    2-phenylethanol 142.73
    styrene 140.21
    dioctyl adipate 98.13
    dimethyl sulfate 150.58
    ethyl butyrate 191.63
    methyl lactate 156.72
    butyl lactate 99.46
    diethyl carbonate 143.34
    propanediol butyl ether 139.24
    triethyl orthoformate 159.56
    p-tert-butyltoluene 97.73
    methyl 4-tert-butylbenzoate 157.39
    morpholine 395.43
    tert-butylamine 150.75
    n-dodecanol 58.54
    dimethoxymethane 290.64
    ethylene carbonate 188.83
    cyrene 116.4
    2-ethoxyethyl acetate 207.95
    2-ethylhexyl acetate 146.71
    1,2,4-trichlorobenzene 206.68
    4-methylpyridine 239.52
    dibutyl ether 159.93
    2,6-dimethyl-4-heptanol 100.45
    DEF 196.74
    dimethyl isosorbide 277.29
    tetrachloroethylene 274.97
    eugenol 139.0
    triacetin 190.72
    span 80 150.46
    1,4-butanediol 70.9
    1,1-dichloroethane 312.08
    2-methyl-1-pentanol 97.2
    methyl formate 124.64
    2-methyl-1-butanol 126.29
    n-decane 34.45
    butyronitrile 199.36
    3,7-dimethyl-1-octanol 102.97
    1-chlorooctane 85.98
    1-chlorotetradecane 42.12
    n-nonane 33.65
    undecane 25.96
    tert-butylcyclohexane 46.87
    cyclooctane 49.02
    cyclopentanol 130.71
    tetrahydropyran 331.8
    tert-amyl methyl ether 169.89
    2,5,8-trioxanonane 300.8
    1-hexene 112.5
    2-isopropoxyethanol 161.75
    2,2,2-trifluoroethanol 99.7
    methyl butyrate 177.09

    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
Plumeria rubra flower headspace (China) Plumeria rubra L. cultivar Acutifolia, fam. Apocynaceae 2.97%