Caryophyllene formate

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  • Identifiers

    CAS number
    58096-46-1

    Molecular formula
    C16H26O2

    SMILES
    CC1(CC2C1CCC3(CCCC2(C3)OC=O)C)C

  • Odor profile

    Woody 87.09%
    Amber 60.9%
    Cedar 57.29%
    Dry 54.94%
    Spicy 45.34%
    Balsamic 41.33%
    Vetiver 40.19%
    Musk 38.34%
    Camphoreous 36.86%
    Pine 36.65%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.12 (neutral)

    Molecular weight
    250.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point est.
    127.87 ˚C

  • Synonyms

    • caryophyllene formate
    • 58096-46-1
    • (4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl) formate
    • DTXSID50866673
    • UNII-6CS460KB0F
    • EINECS 261-117-2
    • 4,4,8-TRIMETHYLTRICYCLO[6.3.1.02,5]DODECAN-1-YL FORMATE
    • 1-formyloxy-caryolane
    • caryolan
    • neopatchouli
    • 4,4,8-Trimethyltricyclo(6.3.1.02,5)dodecan-1-yl formate
    • neo Patchouli
    • Tricyclo[6.3.1.02,5]dodecan-1-ol, 4,4,8-trimethyl-, formate
    • Q27264513
    • tt0815
    • NS00013310

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 149.06
    methanol 130.99
    isopropanol 163.23
    water 0.77
    ethyl acetate 253.27
    n-propanol 187.63
    acetone 279.7
    n-butanol 167.35
    acetonitrile 164.79
    DMF 373.81
    toluene 368.58
    isobutanol 146.32
    1,4-dioxane 453.34
    methyl acetate 256.86
    THF 828.09
    2-butanone 359.69
    n-pentanol 96.41
    sec-butanol 135.95
    n-hexane 12.42
    ethylene glycol 38.44
    NMP 389.6
    cyclohexane 47.81
    DMSO 244.83
    n-butyl acetate 237.01
    n-octanol 75.05
    chloroform 1154.54
    n-propyl acetate 178.43
    acetic acid 136.91
    dichloromethane 719.78
    cyclohexanone 549.92
    propylene glycol 72.78
    isopropyl acetate 202.58
    DMAc 285.29
    2-ethoxyethanol 126.31
    isopentanol 147.68
    n-heptane 14.65
    ethyl formate 184.58
    1,2-dichloroethane 423.53
    n-hexanol 160.75
    2-methoxyethanol 215.1
    isobutyl acetate 163.08
    tetrachloromethane 140.2
    n-pentyl acetate 165.0
    transcutol 371.58
    n-heptanol 88.94
    ethylbenzene 158.07
    MIBK 190.82
    2-propoxyethanol 259.07
    tert-butanol 149.32
    MTBE 150.28
    2-butoxyethanol 161.05
    propionic acid 179.53
    o-xylene 193.21
    formic acid 47.58
    diethyl ether 159.65
    m-xylene 232.16
    p-xylene 220.63
    chlorobenzene 419.66
    dimethyl carbonate 136.07
    n-octane 7.83
    formamide 79.32
    cyclopentanone 616.89
    2-pentanone 254.42
    anisole 242.01
    cyclopentyl methyl ether 296.43
    gamma-butyrolactone 635.09
    1-methoxy-2-propanol 230.45
    pyridine 549.62
    3-pentanone 198.78
    furfural 533.36
    n-dodecane 7.9
    diethylene glycol 171.32
    diisopropyl ether 71.42
    tert-amyl alcohol 111.84
    acetylacetone 294.45
    n-hexadecane 9.51
    acetophenone 249.27
    methyl propionate 221.07
    isopentyl acetate 247.23
    trichloroethylene 913.3
    n-nonanol 72.99
    cyclohexanol 195.16
    benzyl alcohol 196.36
    2-ethylhexanol 107.27
    isooctanol 80.7
    dipropyl ether 102.07
    1,2-dichlorobenzene 364.27
    ethyl lactate 112.54
    propylene carbonate 412.38
    n-methylformamide 181.6
    2-pentanol 105.8
    n-pentane 16.86
    1-propoxy-2-propanol 194.63
    1-methoxy-2-propyl acetate 274.37
    2-(2-methoxypropoxy) propanol 163.16
    mesitylene 146.65
    ε-caprolactone 448.63
    p-cymene 105.75
    epichlorohydrin 662.37
    1,1,1-trichloroethane 457.54
    2-aminoethanol 84.47
    morpholine-4-carbaldehyde 371.7
    sulfolane 535.04
    2,2,4-trimethylpentane 14.31
    2-methyltetrahydrofuran 458.83
    n-hexyl acetate 207.65
    isooctane 14.34
    2-(2-butoxyethoxy)ethanol 187.48
    sec-butyl acetate 147.12
    tert-butyl acetate 204.88
    decalin 30.24
    glycerin 95.38
    diglyme 309.88
    acrylic acid 168.02
    isopropyl myristate 89.54
    n-butyric acid 237.35
    acetyl acetate 198.43
    di(2-ethylhexyl) phthalate 105.35
    ethyl propionate 159.72
    nitromethane 270.14
    1,2-diethoxyethane 154.87
    benzonitrile 335.37
    trioctyl phosphate 78.56
    1-bromopropane 262.78
    gamma-valerolactone 701.92
    n-decanol 56.52
    triethyl phosphate 94.76
    4-methyl-2-pentanol 90.6
    propionitrile 219.99
    vinylene carbonate 403.56
    1,1,2-trichlorotrifluoroethane 353.66
    DMS 208.06
    cumene 108.17
    2-octanol 62.25
    2-hexanone 183.2
    octyl acetate 110.1
    limonene 116.86
    1,2-dimethoxyethane 246.25
    ethyl orthosilicate 91.97
    tributyl phosphate 91.81
    diacetone alcohol 197.85
    N,N-dimethylaniline 154.34
    acrylonitrile 263.38
    aniline 286.81
    1,3-propanediol 126.83
    bromobenzene 482.18
    dibromomethane 509.76
    1,1,2,2-tetrachloroethane 687.14
    2-methyl-cyclohexyl acetate 174.97
    tetrabutyl urea 106.11
    diisobutyl methanol 74.74
    2-phenylethanol 233.83
    styrene 185.61
    dioctyl adipate 126.34
    dimethyl sulfate 188.59
    ethyl butyrate 165.29
    methyl lactate 148.42
    butyl lactate 153.05
    diethyl carbonate 125.99
    propanediol butyl ether 146.77
    triethyl orthoformate 130.37
    p-tert-butyltoluene 103.19
    methyl 4-tert-butylbenzoate 197.72
    morpholine 449.33
    tert-butylamine 99.66
    n-dodecanol 44.99
    dimethoxymethane 253.69
    ethylene carbonate 330.54
    cyrene 193.45
    2-ethoxyethyl acetate 209.13
    2-ethylhexyl acetate 201.53
    1,2,4-trichlorobenzene 412.2
    4-methylpyridine 509.45
    dibutyl ether 76.46
    2,6-dimethyl-4-heptanol 74.74
    DEF 213.95
    dimethyl isosorbide 317.33
    tetrachloroethylene 405.76
    eugenol 187.94
    triacetin 213.31
    span 80 152.8
    1,4-butanediol 54.09
    1,1-dichloroethane 470.48
    2-methyl-1-pentanol 100.37
    methyl formate 167.53
    2-methyl-1-butanol 128.48
    n-decane 12.46
    butyronitrile 228.73
    3,7-dimethyl-1-octanol 93.76
    1-chlorooctane 65.09
    1-chlorotetradecane 28.6
    n-nonane 10.5
    undecane 9.64
    tert-butylcyclohexane 24.01
    cyclooctane 18.2
    cyclopentanol 218.48
    tetrahydropyran 482.65
    tert-amyl methyl ether 112.1
    2,5,8-trioxanonane 213.05
    1-hexene 62.96
    2-isopropoxyethanol 116.33
    2,2,2-trifluoroethanol 82.11
    methyl butyrate 208.59

    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