2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, 4-acetate

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  • Identifiers

    CAS number
    131766-73-9

    Molecular formula
    C11H20O3

    SMILES
    CCCC1CC(CCO1)(C)OC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 82.97%
    Floral 81.39%
    Herbal 67.62%
    Sweet 49.91%
    Mint 47.0%
    Fresh 44.44%
    Jasmin 39.76%
    Woody 37.91%
    Rose 37.44%
    Green 35.74%

     

    Flavor
    Sweet 57.32%
    Fruity 56.19%
    Herbal 55.65%
    Fruit 39.9%
    Green 39.02%
    Tropical 37.2%
    Minty 34.01%
    Woody 32.19%
    Banana 28.43%
    Pineapple 28.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.93 (neutral)

    Molecular weight
    200.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point

    • 96.48 ˚C est.

  • Synonyms

    • Clarycet
    • 131766-73-9
    • 2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, 4-acetate
    • (4-methyl-2-propyloxan-4-yl) acetate
    • DTXSID80888944
    • EC 412-450-9
    • 2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, acetate
    • clary propyl acetate
    • SCHEMBL755662
    • CHEBI:174007
    • GURYYNWDVKXZAT-UHFFFAOYSA-N
    • DTXCID301028214
    • TETRAHYDRO-4-METHYL-2-PROPYL-2H-PYRAN-4-OL ACETATE
    • 4-methyl-2-propyloxan-4-yl acetate
    • NS00114753
    • 4-methyl-2-propyltetrahydro-2h-pyran-4-yl acetate
    • 603-508-6

  • Applications

    2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, 4-acetate is predominantly used as an intermediate in organic synthesis and, in fragrance-related applications, as an aroma ester or potential fixative component. In cosmetics and personal care it may function as a fragrance ingredient in formulations. In industrial manufacturing it can serve as a specialty building block for the synthesis of cyclic ethers and related compounds, while in coatings and inks it may be evaluated as a processing additive or precursor to polymer modifiers, subject to formulation and regulatory constraints. It may also be explored as a synthetic intermediate for pharmaceutical or agrochemical research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1249.14
    methanol 2045.82
    isopropanol 996.98
    water 16.43
    ethyl acetate 874.07
    n-propanol 967.08
    acetone 1151.25
    n-butanol 809.63
    acetonitrile 930.79
    DMF 1252.03
    toluene 470.53
    isobutanol 712.89
    1,4-dioxane 1231.29
    methyl acetate 794.25
    THF 1632.37
    2-butanone 731.83
    n-pentanol 470.85
    sec-butanol 753.47
    n-hexane 66.15
    ethylene glycol 383.17
    NMP 1398.72
    cyclohexane 166.24
    DMSO 1131.46
    n-butyl acetate 402.61
    n-octanol 288.43
    chloroform 3095.38
    n-propyl acetate 350.54
    acetic acid 1885.3
    dichloromethane 2157.04
    cyclohexanone 1501.38
    propylene glycol 549.59
    isopropyl acetate 532.39
    DMAc 1234.22
    2-ethoxyethanol 535.32
    isopentanol 647.75
    n-heptane 33.48
    ethyl formate 651.25
    1,2-dichloroethane 1021.76
    n-hexanol 604.28
    2-methoxyethanol 1105.36
    isobutyl acetate 253.46
    tetrachloromethane 314.06
    n-pentyl acetate 307.94
    transcutol 1865.59
    n-heptanol 195.01
    ethylbenzene 195.53
    MIBK 385.66
    2-propoxyethanol 777.45
    tert-butanol 994.85
    MTBE 581.15
    2-butoxyethanol 315.23
    propionic acid 1094.45
    o-xylene 300.97
    formic acid 770.28
    diethyl ether 584.04
    m-xylene 364.96
    p-xylene 268.97
    chlorobenzene 753.73
    dimethyl carbonate 297.7
    n-octane 16.28
    formamide 577.37
    cyclopentanone 1250.54
    2-pentanone 659.99
    anisole 346.35
    cyclopentyl methyl ether 828.14
    gamma-butyrolactone 1630.66
    1-methoxy-2-propanol 825.02
    pyridine 941.92
    3-pentanone 498.25
    furfural 1246.53
    n-dodecane 18.06
    diethylene glycol 635.61
    diisopropyl ether 175.51
    tert-amyl alcohol 751.18
    acetylacetone 753.73
    n-hexadecane 20.84
    acetophenone 380.42
    methyl propionate 673.44
    isopentyl acetate 368.69
    trichloroethylene 2221.85
    n-nonanol 230.76
    cyclohexanol 1007.59
    benzyl alcohol 407.27
    2-ethylhexanol 253.45
    isooctanol 155.55
    dipropyl ether 211.6
    1,2-dichlorobenzene 567.01
    ethyl lactate 217.26
    propylene carbonate 909.89
    n-methylformamide 808.25
    2-pentanol 499.79
    n-pentane 77.92
    1-propoxy-2-propanol 444.88
    1-methoxy-2-propyl acetate 475.71
    2-(2-methoxypropoxy) propanol 387.87
    mesitylene 196.13
    ε-caprolactone 1289.71
    p-cymene 118.77
    epichlorohydrin 1379.35
    1,1,1-trichloroethane 1082.08
    2-aminoethanol 657.52
    morpholine-4-carbaldehyde 1268.11
    sulfolane 1461.76
    2,2,4-trimethylpentane 47.1
    2-methyltetrahydrofuran 1224.96
    n-hexyl acetate 555.22
    isooctane 30.51
    2-(2-butoxyethoxy)ethanol 544.88
    sec-butyl acetate 261.26
    tert-butyl acetate 480.34
    decalin 65.95
    glycerin 639.63
    diglyme 813.91
    acrylic acid 881.57
    isopropyl myristate 168.53
    n-butyric acid 1327.16
    acetyl acetate 662.75
    di(2-ethylhexyl) phthalate 195.78
    ethyl propionate 354.95
    nitromethane 1795.95
    1,2-diethoxyethane 393.77
    benzonitrile 585.27
    trioctyl phosphate 131.98
    1-bromopropane 649.86
    gamma-valerolactone 1602.53
    n-decanol 153.59
    triethyl phosphate 148.88
    4-methyl-2-pentanol 263.23
    propionitrile 722.21
    vinylene carbonate 930.83
    1,1,2-trichlorotrifluoroethane 1117.06
    DMS 428.32
    cumene 145.33
    2-octanol 150.98
    2-hexanone 353.95
    octyl acetate 234.14
    limonene 194.14
    1,2-dimethoxyethane 740.6
    ethyl orthosilicate 143.39
    tributyl phosphate 174.36
    diacetone alcohol 543.6
    N,N-dimethylaniline 239.38
    acrylonitrile 844.7
    aniline 653.84
    1,3-propanediol 717.8
    bromobenzene 751.8
    dibromomethane 1442.37
    1,1,2,2-tetrachloroethane 1683.62
    2-methyl-cyclohexyl acetate 254.51
    tetrabutyl urea 212.59
    diisobutyl methanol 125.69
    2-phenylethanol 383.39
    styrene 245.31
    dioctyl adipate 257.7
    dimethyl sulfate 482.44
    ethyl butyrate 260.16
    methyl lactate 375.34
    butyl lactate 273.52
    diethyl carbonate 199.33
    propanediol butyl ether 452.97
    triethyl orthoformate 186.74
    p-tert-butyltoluene 114.44
    methyl 4-tert-butylbenzoate 342.45
    morpholine 1399.79
    tert-butylamine 559.3
    n-dodecanol 108.58
    dimethoxymethane 678.32
    ethylene carbonate 778.24
    cyrene 368.07
    2-ethoxyethyl acetate 427.07
    2-ethylhexyl acetate 278.87
    1,2,4-trichlorobenzene 677.86
    4-methylpyridine 1109.58
    dibutyl ether 238.77
    2,6-dimethyl-4-heptanol 125.69
    DEF 725.6
    dimethyl isosorbide 578.96
    tetrachloroethylene 1043.4
    eugenol 311.47
    triacetin 515.08
    span 80 376.45
    1,4-butanediol 293.81
    1,1-dichloroethane 1300.6
    2-methyl-1-pentanol 397.62
    methyl formate 700.14
    2-methyl-1-butanol 636.5
    n-decane 31.73
    butyronitrile 714.92
    3,7-dimethyl-1-octanol 249.29
    1-chlorooctane 163.98
    1-chlorotetradecane 59.59
    n-nonane 31.71
    undecane 22.85
    tert-butylcyclohexane 57.79
    cyclooctane 44.93
    cyclopentanol 938.66
    tetrahydropyran 1244.64
    tert-amyl methyl ether 440.97
    2,5,8-trioxanonane 586.32
    1-hexene 221.24
    2-isopropoxyethanol 365.2
    2,2,2-trifluoroethanol 581.14
    methyl butyrate 458.96

    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