Vetynal extra

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  • Identifiers

    Molecular formula
    C17H28O2

    SMILES
    CC(=O)OC12CCCC(C1)(CCC3C2CC3(C)C)C

  • Odor profile

    Woody 88.48%
    Amber 59.92%
    Cedar 58.29%
    Fruity 56.8%
    Dry 55.28%
    Spicy 46.78%
    Musk 44.17%
    Earthy 42.82%
    Balsamic 42.76%
    Vetiver 39.77%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Melting point expt.

    • 40 °C

    Flash point est.
    132.09 ˚C

  • Synonyms

    • beta-Caryophyllene alcohol acetate
    • VETYNAL EXTRA
    • (4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl) acetate
    • 4,4,8-trimethyltricyclo[6.3.1.0^{2,5}]dodecan-1-yl acetate
    • SCHEMBL3505004
    • DTXSID90860711
    • CHEBI:173884
    • SJDDHMSVZMBJPH-UHFFFAOYSA-N
    • Tricyclo[6.3.1.02,5]dodecan-1-ol, 4,4,8-trimethyl-, acetate, (1R,2S,5R,8S)-
    • HCA08224
    • NS00013309
    • 4,4,8-Trimethyltricyclo[6.3.1.0~2,5~]dodecan-1-yl acetate
    • Tricyclo[6.3.1.0(2,5)-]dodecan-1-ol, 4,4,8-trimethyl-, acetate, [1R-(1.alpha.,2.alpha.,5.beta.,8.beta.)]-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 185.05
    methanol 191.3
    isopropanol 205.84
    water 1.63
    ethyl acetate 279.95
    n-propanol 225.71
    acetone 281.78
    n-butanol 206.93
    acetonitrile 191.74
    DMF 477.25
    toluene 496.46
    isobutanol 210.2
    1,4-dioxane 600.53
    methyl acetate 308.7
    THF 929.49
    2-butanone 386.32
    n-pentanol 148.09
    sec-butanol 205.89
    n-hexane 30.64
    ethylene glycol 58.88
    NMP 582.19
    cyclohexane 96.41
    DMSO 285.02
    n-butyl acetate 276.91
    n-octanol 129.24
    chloroform 1576.34
    n-propyl acetate 202.96
    acetic acid 229.82
    dichloromethane 882.98
    cyclohexanone 662.02
    propylene glycol 120.01
    isopropyl acetate 232.93
    DMAc 422.02
    2-ethoxyethanol 166.65
    isopentanol 205.49
    n-heptane 26.29
    ethyl formate 206.98
    1,2-dichloroethane 449.4
    n-hexanol 247.56
    2-methoxyethanol 266.15
    isobutyl acetate 203.71
    tetrachloromethane 202.49
    n-pentyl acetate 220.9
    transcutol 508.11
    n-heptanol 141.85
    ethylbenzene 223.35
    MIBK 229.51
    2-propoxyethanol 335.98
    tert-butanol 202.38
    MTBE 223.52
    2-butoxyethanol 234.13
    propionic acid 256.75
    o-xylene 266.42
    formic acid 82.8
    diethyl ether 198.26
    m-xylene 317.64
    p-xylene 317.24
    chlorobenzene 516.77
    dimethyl carbonate 169.6
    n-octane 13.23
    formamide 107.51
    cyclopentanone 672.49
    2-pentanone 270.41
    anisole 302.39
    cyclopentyl methyl ether 395.69
    gamma-butyrolactone 706.5
    1-methoxy-2-propanol 284.77
    pyridine 671.38
    3-pentanone 248.01
    furfural 639.51
    n-dodecane 14.07
    diethylene glycol 231.01
    diisopropyl ether 96.31
    tert-amyl alcohol 178.08
    acetylacetone 329.41
    n-hexadecane 16.62
    acetophenone 305.7
    methyl propionate 255.4
    isopentyl acetate 293.07
    trichloroethylene 1034.48
    n-nonanol 121.53
    cyclohexanol 294.56
    benzyl alcohol 266.32
    2-ethylhexanol 157.36
    isooctanol 125.22
    dipropyl ether 134.22
    1,2-dichlorobenzene 448.62
    ethyl lactate 141.86
    propylene carbonate 487.24
    n-methylformamide 212.15
    2-pentanol 151.07
    n-pentane 35.68
    1-propoxy-2-propanol 251.39
    1-methoxy-2-propyl acetate 308.74
    2-(2-methoxypropoxy) propanol 241.29
    mesitylene 194.51
    ε-caprolactone 573.43
    p-cymene 134.66
    epichlorohydrin 690.19
    1,1,1-trichloroethane 541.65
    2-aminoethanol 132.15
    morpholine-4-carbaldehyde 542.33
    sulfolane 627.5
    2,2,4-trimethylpentane 27.31
    2-methyltetrahydrofuran 567.74
    n-hexyl acetate 305.48
    isooctane 23.28
    2-(2-butoxyethoxy)ethanol 277.32
    sec-butyl acetate 178.79
    tert-butyl acetate 244.03
    decalin 51.97
    glycerin 161.17
    diglyme 420.0
    acrylic acid 247.93
    isopropyl myristate 128.13
    n-butyric acid 291.01
    acetyl acetate 255.84
    di(2-ethylhexyl) phthalate 157.22
    ethyl propionate 185.96
    nitromethane 345.38
    1,2-diethoxyethane 205.35
    benzonitrile 402.76
    trioctyl phosphate 114.64
    1-bromopropane 310.9
    gamma-valerolactone 835.52
    n-decanol 93.33
    triethyl phosphate 122.29
    4-methyl-2-pentanol 124.93
    propionitrile 239.38
    vinylene carbonate 501.3
    1,1,2-trichlorotrifluoroethane 456.98
    DMS 276.27
    cumene 145.84
    2-octanol 105.43
    2-hexanone 221.26
    octyl acetate 161.49
    limonene 160.84
    1,2-dimethoxyethane 313.29
    ethyl orthosilicate 120.87
    tributyl phosphate 128.06
    diacetone alcohol 243.11
    N,N-dimethylaniline 207.29
    acrylonitrile 280.48
    aniline 377.6
    1,3-propanediol 166.51
    bromobenzene 591.38
    dibromomethane 625.61
    1,1,2,2-tetrachloroethane 870.31
    2-methyl-cyclohexyl acetate 225.89
    tetrabutyl urea 149.81
    diisobutyl methanol 96.75
    2-phenylethanol 306.46
    styrene 258.63
    dioctyl adipate 175.55
    dimethyl sulfate 239.53
    ethyl butyrate 194.4
    methyl lactate 181.57
    butyl lactate 204.87
    diethyl carbonate 148.54
    propanediol butyl ether 229.66
    triethyl orthoformate 163.01
    p-tert-butyltoluene 132.98
    methyl 4-tert-butylbenzoate 268.83
    morpholine 596.68
    tert-butylamine 146.55
    n-dodecanol 72.56
    dimethoxymethane 290.99
    ethylene carbonate 415.69
    cyrene 265.1
    2-ethoxyethyl acetate 281.79
    2-ethylhexyl acetate 254.51
    1,2,4-trichlorobenzene 525.08
    4-methylpyridine 643.49
    dibutyl ether 121.5
    2,6-dimethyl-4-heptanol 96.75
    DEF 266.06
    dimethyl isosorbide 403.28
    tetrachloroethylene 522.41
    eugenol 260.05
    triacetin 297.93
    span 80 238.89
    1,4-butanediol 81.31
    1,1-dichloroethane 538.75
    2-methyl-1-pentanol 161.1
    methyl formate 197.99
    2-methyl-1-butanol 199.1
    n-decane 22.16
    butyronitrile 248.88
    3,7-dimethyl-1-octanol 139.16
    1-chlorooctane 99.81
    1-chlorotetradecane 44.5
    n-nonane 19.46
    undecane 17.19
    tert-butylcyclohexane 41.18
    cyclooctane 35.75
    cyclopentanol 312.02
    tetrahydropyran 620.65
    tert-amyl methyl ether 171.76
    2,5,8-trioxanonane 294.87
    1-hexene 111.22
    2-isopropoxyethanol 152.39
    2,2,2-trifluoroethanol 125.41
    methyl butyrate 237.58

    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