Vitispirane A

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  • Identifiers

    CAS number
    99944-79-3

    Molecular formula
    C13H20O

    SMILES
    C[C@@H]1CC[C@]2(O1)C(=C)C=CCC2(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 79.6%
    Woody 72.78%
    Floral 69.1%
    Green 68.66%
    Herbal 54.79%
    Fresh 46.56%
    Mint 44.71%
    Earthy 40.01%
    Camphoreous 36.35%
    Sweet 36.29%

     

    Flavor
    Woody 72.7%
    Fruity 72.06%
    Floral 62.57%
    Spicy 43.6%
    Earthy 42.76%
    Green 39.91%
    Herbal 39.05%
    Tobacco 36.58%
    Wood 33.68%
    Minty 33.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.69 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 82.26 ˚C est.

  • Synonyms

    • Vitispirane A
    • trans-Vitispirane
    • Vitispirane I
    • 18CF5UG71N
    • UNII-18CF5UG71N
    • 99944-79-3
    • 1-Oxaspiro(4.5)dec-7-ene, 2,10,10-trimethyl-6-methylene-, trans-
    • 1-Oxaspiro(4.5)dec-7-ene, 2,10,10-trimethyl-6-methylene-, (2R,5R)-rel-
    • RefChem:194573
    • (2R,5R)-2,6,6-trimethyl-10-methylidene-1-oxaspiro(4.5)dec-8-ene
    • (2R,5R)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene
    • DUPDJVDPPBFBPL-YPMHNXCESA-N
    • SCHEMBL29831726
    • Q27251997
    • 99944-79-3

  • Applications

    Vitispirane A (CAS 99944-79-3) is a fragrance-oriented terpene-like compound used as an odorant in perfumery and cosmetics, and can serve as a fragrance intermediate in scent chemistry. It is commonly evaluated for aroma and flavor research and may appear as a fragrance component in consumer products and household goods. In industrial manufacturing, it may act as a synthetic intermediate or fragrance additive in coatings, inks, and adhesives. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 367.83
    methanol 383.22
    isopropanol 366.96
    water 3.72
    ethyl acetate 634.56
    n-propanol 417.85
    acetone 586.7
    n-butanol 468.92
    acetonitrile 536.51
    DMF 807.87
    toluene 949.47
    isobutanol 403.68
    1,4-dioxane 950.73
    methyl acetate 556.66
    THF 1517.77
    2-butanone 652.04
    n-pentanol 330.89
    sec-butanol 410.57
    n-hexane 201.95
    ethylene glycol 103.78
    NMP 865.6
    cyclohexane 334.15
    DMSO 488.44
    n-butyl acetate 614.72
    n-octanol 411.73
    chloroform 2374.79
    n-propyl acetate 437.68
    acetic acid 284.0
    dichloromethane 2061.71
    cyclohexanone 1081.27
    propylene glycol 140.59
    isopropyl acetate 508.84
    DMAc 701.67
    2-ethoxyethanol 407.93
    isopentanol 453.29
    n-heptane 225.48
    ethyl formate 414.29
    1,2-dichloroethane 1085.88
    n-hexanol 572.98
    2-methoxyethanol 562.96
    isobutyl acetate 356.22
    tetrachloromethane 657.26
    n-pentyl acetate 481.58
    transcutol 887.98
    n-heptanol 359.84
    ethylbenzene 528.53
    MIBK 523.57
    2-propoxyethanol 673.87
    tert-butanol 455.63
    MTBE 573.19
    2-butoxyethanol 432.52
    propionic acid 325.23
    o-xylene 619.7
    formic acid 102.52
    diethyl ether 691.16
    m-xylene 747.69
    p-xylene 614.9
    chlorobenzene 937.66
    dimethyl carbonate 334.01
    n-octane 106.42
    formamide 151.1
    cyclopentanone 1122.19
    2-pentanone 654.91
    anisole 709.11
    cyclopentyl methyl ether 912.56
    gamma-butyrolactone 1096.88
    1-methoxy-2-propanol 490.82
    pyridine 895.66
    3-pentanone 601.31
    furfural 917.71
    n-dodecane 93.38
    diethylene glycol 397.37
    diisopropyl ether 342.68
    tert-amyl alcohol 416.12
    acetylacetone 702.88
    n-hexadecane 107.16
    acetophenone 621.34
    methyl propionate 547.98
    isopentyl acetate 595.27
    trichloroethylene 1828.94
    n-nonanol 344.43
    cyclohexanol 560.15
    benzyl alcohol 452.73
    2-ethylhexanol 418.7
    isooctanol 303.67
    dipropyl ether 540.78
    1,2-dichlorobenzene 937.16
    ethyl lactate 252.95
    propylene carbonate 714.62
    n-methylformamide 354.4
    2-pentanol 375.74
    n-pentane 222.3
    1-propoxy-2-propanol 511.96
    1-methoxy-2-propyl acetate 595.92
    2-(2-methoxypropoxy) propanol 418.43
    mesitylene 549.72
    ε-caprolactone 896.02
    p-cymene 421.17
    epichlorohydrin 1173.6
    1,1,1-trichloroethane 1217.55
    2-aminoethanol 195.37
    morpholine-4-carbaldehyde 962.99
    sulfolane 1074.47
    2,2,4-trimethylpentane 137.49
    2-methyltetrahydrofuran 1037.01
    n-hexyl acetate 686.66
    isooctane 128.64
    2-(2-butoxyethoxy)ethanol 493.26
    sec-butyl acetate 364.55
    tert-butyl acetate 523.64
    decalin 208.22
    glycerin 193.11
    diglyme 887.82
    acrylic acid 284.44
    isopropyl myristate 329.84
    n-butyric acid 463.78
    acetyl acetate 464.66
    di(2-ethylhexyl) phthalate 276.75
    ethyl propionate 473.74
    nitromethane 502.98
    1,2-diethoxyethane 506.81
    benzonitrile 725.16
    trioctyl phosphate 222.37
    1-bromopropane 874.37
    gamma-valerolactone 1208.66
    n-decanol 259.71
    triethyl phosphate 276.47
    4-methyl-2-pentanol 294.96
    propionitrile 545.71
    vinylene carbonate 736.2
    1,1,2-trichlorotrifluoroethane 633.55
    DMS 520.75
    cumene 412.11
    2-octanol 299.81
    2-hexanone 471.61
    octyl acetate 386.96
    limonene 499.79
    1,2-dimethoxyethane 737.89
    ethyl orthosilicate 270.25
    tributyl phosphate 259.22
    diacetone alcohol 462.06
    N,N-dimethylaniline 534.05
    acrylonitrile 570.85
    aniline 585.21
    1,3-propanediol 294.8
    bromobenzene 1183.84
    dibromomethane 1526.1
    1,1,2,2-tetrachloroethane 1440.23
    2-methyl-cyclohexyl acetate 446.26
    tetrabutyl urea 320.23
    diisobutyl methanol 272.95
    2-phenylethanol 555.02
    styrene 584.82
    dioctyl adipate 380.82
    dimethyl sulfate 461.89
    ethyl butyrate 527.97
    methyl lactate 274.9
    butyl lactate 316.87
    diethyl carbonate 373.2
    propanediol butyl ether 353.13
    triethyl orthoformate 373.42
    p-tert-butyltoluene 414.45
    methyl 4-tert-butylbenzoate 557.64
    morpholine 875.34
    tert-butylamine 404.55
    n-dodecanol 205.23
    dimethoxymethane 722.68
    ethylene carbonate 617.99
    cyrene 400.34
    2-ethoxyethyl acetate 519.7
    2-ethylhexyl acetate 523.27
    1,2,4-trichlorobenzene 941.64
    4-methylpyridine 1039.01
    dibutyl ether 447.25
    2,6-dimethyl-4-heptanol 272.95
    DEF 660.75
    dimethyl isosorbide 738.14
    tetrachloroethylene 1067.6
    eugenol 465.5
    triacetin 537.34
    span 80 369.9
    1,4-butanediol 160.68
    1,1-dichloroethane 1161.2
    2-methyl-1-pentanol 342.24
    methyl formate 344.11
    2-methyl-1-butanol 440.41
    n-decane 145.95
    butyronitrile 626.88
    3,7-dimethyl-1-octanol 385.29
    1-chlorooctane 408.73
    1-chlorotetradecane 185.34
    n-nonane 149.02
    undecane 113.68
    tert-butylcyclohexane 186.94
    cyclooctane 191.83
    cyclopentanol 561.26
    tetrahydropyran 1007.2
    tert-amyl methyl ether 494.13
    2,5,8-trioxanonane 629.81
    1-hexene 384.35
    2-isopropoxyethanol 338.56
    2,2,2-trifluoroethanol 169.01
    methyl butyrate 553.29

    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