Cyclopenta(c)pyran-4,7-dimethanol, 1,4a,5,6,7,7a-hexahydro-1,6-dihydroxy-, 1-isovalerate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    76319-15-8

    Molecular formula
    C15H24O6

    SMILES
    CC(C)CC(=O)O[C@H]1[C@@H]2[C@@H](C[C@H]([C@H]2CO)O)C(=CO1)CO

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.12%
    Mint 31.85%
    Cooling 29.58%
    Sweet 26.6%
    Milky 21.88%
    Fruity 20.24%
    Lactonic 19.23%
    Buttery 18.24%
    Herbal 18.11%
    Creamy 17.89%

     

    Flavor
    Bitter 70.25%
    Odorless 27.89%
    Fatty 24.38%
    Sweet-like 24.11%
    Bland 23.21%
    Fruity 21.49%
    Cedarleaf 21.18%
    Leaves 19.73%
    Parsley 19.68%
    Lovage 19.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    6.8 (neutral)

    Molecular weight
    300.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    741°C

    Flash point

    • 207.5 ˚C est.

  • Synonyms

    • Patrinoside-aglycone
    • BRN 1654981
    • Cyclopenta(c)pyran-4,7-dimethanol, 1,4a,5,6,7,7a-hexahydro-1,6-dihydroxy-, 1-isovalerate
    • 76319-15-8
    • DTXSID10227185
    • 5-17-06-00498 (Beilstein Handbook Reference)
    • RefChem:335848
    • DTXCID10149676
    • SCHEMBL29425936
    • (1S,4aR,6R,7R,7aR)-6-Hydroxy-4,7-bis(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 3-methylbutanoate
    • 76319-15-8

  • Applications

    Cyclopenta(c)pyran-4,7-dimethanol, 1,4a,5,6,7,7a-hexahydro-1,6-dihydroxy-, 1-isovalerate (CAS 76319-15-8) is typically used as an intermediate and functional additive across several industries. In perfumery and cosmetics, it may serve as a fragrance precursor or fixative component. In polymers and coatings, it can act as a diol crosslinking agent or reactive diluent for polyurethane and acrylic systems. In industrial manufacturing, it is employed as a building block for synthesizing more complex specialty chemicals. In cleaning and household formulations, it may function as a solvent or co-solvent and help carry fragrance. In plastics, it could be incorporated to modify resin properties as a plasticizer precursor. In agriculture, it may be explored as an intermediate for agrochemical formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 129.4
    methanol 416.95
    isopropanol 73.08
    water 12.72
    ethyl acetate 12.31
    n-propanol 74.74
    acetone 50.07
    n-butanol 55.23
    acetonitrile 19.62
    DMF 207.57
    toluene 3.06
    isobutanol 38.54
    1,4-dioxane 60.41
    methyl acetate 16.82
    THF 139.77
    2-butanone 24.79
    n-pentanol 30.3
    sec-butanol 36.2
    n-hexane 0.35
    ethylene glycol 122.01
    NMP 151.43
    cyclohexane 0.95
    DMSO 435.83
    n-butyl acetate 15.2
    n-octanol 14.19
    chloroform 34.54
    n-propyl acetate 11.09
    acetic acid 335.28
    dichloromethane 27.34
    cyclohexanone 68.81
    propylene glycol 127.4
    isopropyl acetate 11.94
    DMAc 168.47
    2-ethoxyethanol 124.19
    isopentanol 40.15
    n-heptane 0.38
    ethyl formate 27.1
    1,2-dichloroethane 21.02
    n-hexanol 27.94
    2-methoxyethanol 326.14
    isobutyl acetate 9.92
    tetrachloromethane 4.51
    n-pentyl acetate 13.46
    transcutol 244.07
    n-heptanol 17.85
    ethylbenzene 2.5
    MIBK 19.8
    2-propoxyethanol 116.88
    tert-butanol 54.23
    MTBE 6.2
    2-butoxyethanol 68.19
    propionic acid 74.36
    o-xylene 3.37
    formic acid 450.01
    diethyl ether 6.59
    m-xylene 4.12
    p-xylene 3.89
    chlorobenzene 7.02
    dimethyl carbonate 18.02
    n-octane 0.36
    formamide 342.97
    cyclopentanone 95.42
    2-pentanone 21.28
    anisole 8.25
    cyclopentyl methyl ether 19.2
    gamma-butyrolactone 115.39
    1-methoxy-2-propanol 177.23
    pyridine 30.35
    3-pentanone 11.1
    furfural 103.08
    n-dodecane 0.39
    diethylene glycol 184.11
    diisopropyl ether 2.19
    tert-amyl alcohol 29.81
    acetylacetone 38.48
    n-hexadecane 0.43
    acetophenone 19.58
    methyl propionate 17.67
    isopentyl acetate 17.45
    trichloroethylene 48.21
    n-nonanol 13.31
    cyclohexanol 35.02
    benzyl alcohol 28.12
    2-ethylhexanol 10.4
    isooctanol 14.02
    dipropyl ether 4.92
    1,2-dichlorobenzene 8.73
    ethyl lactate 28.68
    propylene carbonate 54.06
    n-methylformamide 154.28
    2-pentanol 19.72
    n-pentane 0.45
    1-propoxy-2-propanol 55.67
    1-methoxy-2-propyl acetate 30.92
    2-(2-methoxypropoxy) propanol 59.07
    mesitylene 2.92
    ε-caprolactone 67.22
    p-cymene 3.31
    epichlorohydrin 101.76
    1,1,1-trichloroethane 12.5
    2-aminoethanol 164.8
    morpholine-4-carbaldehyde 154.73
    sulfolane 170.82
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 38.24
    n-hexyl acetate 19.54
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 91.81
    sec-butyl acetate 7.35
    tert-butyl acetate 15.95
    decalin 0.58
    glycerin 233.76
    diglyme 126.12
    acrylic acid 95.39
    isopropyl myristate 7.18
    n-butyric acid 84.99
    acetyl acetate 13.66
    di(2-ethylhexyl) phthalate 18.21
    ethyl propionate 8.47
    nitromethane 207.76
    1,2-diethoxyethane 20.22
    benzonitrile 20.18
    trioctyl phosphate 14.0
    1-bromopropane 6.34
    gamma-valerolactone 177.44
    n-decanol 9.34
    triethyl phosphate 10.4
    4-methyl-2-pentanol 14.19
    propionitrile 15.06
    vinylene carbonate 49.16
    1,1,2-trichlorotrifluoroethane 153.88
    DMS 20.72
    cumene 2.58
    2-octanol 9.87
    2-hexanone 14.16
    octyl acetate 11.24
    limonene 4.14
    1,2-dimethoxyethane 78.8
    ethyl orthosilicate 8.88
    tributyl phosphate 14.3
    diacetone alcohol 59.05
    N,N-dimethylaniline 8.2
    acrylonitrile 28.57
    aniline 13.75
    1,3-propanediol 217.24
    bromobenzene 4.68
    dibromomethane 14.74
    1,1,2,2-tetrachloroethane 41.13
    2-methyl-cyclohexyl acetate 15.24
    tetrabutyl urea 21.46
    diisobutyl methanol 6.45
    2-phenylethanol 28.38
    styrene 2.48
    dioctyl adipate 15.17
    dimethyl sulfate 44.54
    ethyl butyrate 9.61
    methyl lactate 58.31
    butyl lactate 30.9
    diethyl carbonate 7.99
    propanediol butyl ether 83.74
    triethyl orthoformate 9.81
    p-tert-butyltoluene 3.0
    methyl 4-tert-butylbenzoate 28.87
    morpholine 102.16
    tert-butylamine 12.15
    n-dodecanol 6.51
    dimethoxymethane 77.05
    ethylene carbonate 38.64
    cyrene 74.58
    2-ethoxyethyl acetate 27.03
    2-ethylhexyl acetate 11.72
    1,2,4-trichlorobenzene 13.32
    4-methylpyridine 19.85
    dibutyl ether 5.17
    2,6-dimethyl-4-heptanol 6.45
    DEF 29.29
    dimethyl isosorbide 79.1
    tetrachloroethylene 28.25
    eugenol 41.91
    triacetin 30.96
    span 80 52.0
    1,4-butanediol 82.59
    1,1-dichloroethane 14.33
    2-methyl-1-pentanol 24.46
    methyl formate 100.08
    2-methyl-1-butanol 32.58
    n-decane 0.61
    butyronitrile 15.8
    3,7-dimethyl-1-octanol 13.66
    1-chlorooctane 3.11
    1-chlorotetradecane 1.39
    n-nonane 0.51
    undecane 0.47
    tert-butylcyclohexane 0.42
    cyclooctane 0.41
    cyclopentanol 54.31
    tetrahydropyran 25.94
    tert-amyl methyl ether 6.28
    2,5,8-trioxanonane 89.72
    1-hexene 1.53
    2-isopropoxyethanol 59.42
    2,2,2-trifluoroethanol 128.6
    methyl butyrate 14.92

    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