2-Furanethanol, tetrahydro-alpha-pentyl-, 2-acetate

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  • Identifiers

    CAS number
    72785-18-3

    Molecular formula
    C13H20O3

    SMILES
    CCCCC[C@H](COC(=O)C)C1=CC=CO1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 74.04%
    Floral 66.07%
    Sweet 56.67%
    Green 56.01%
    Waxy 40.82%
    Herbal 40.29%
    Jasmin 39.69%
    Oily 39.08%
    Fatty 37.06%
    Fresh 35.59%

     

    Flavor
    Fruity 55.72%
    Green 54.78%
    Waxy 47.33%
    Oily 40.48%
    Tropical 39.58%
    Floral 38.38%
    Sweet 37.11%
    Herbal 34.6%
    Mushroom 30.92%
    Earthy 30.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.64 (neutral)

    Molecular weight
    224.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 127.96 ˚C est.

  • Synonyms

    • (Tetrahydrofurfuryl)amylcarbinyl acetate
    • 2-Furanethanol, tetrahydro-alpha-pentyl-, acetate
    • 2-Furanethanol, tetrahydro-alpha-pentyl-, 2-acetate
    • RefChem:472767
    • DTXCID901027476
    • 2-Furanethanol, tetrahydro-.alpha.-pentyl-, 2-acetate
    • 72785-18-3
    • DTXSID70888195
    • 72785-18-3

  • Applications

    2-Furanethanol, tetrahydro-alpha-pentyl-, 2-acetate (CAS 72785-18-3) is commonly used as an odorant and fragrance ingredient in perfumery and flavor formulations, and also serves as an intermediate in fragrance synthesis for building related ester aroma compounds. It can be employed in cosmetics and personal care products to contribute fragrance, in household products such as cleaners and air fresheners to impart aroma, and in coatings and inks as a fragrance additive. In polymer and plastics formulations, it may be added as an odorant to improve scent profiles, while always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1725.12
    methanol 2728.98
    isopropanol 997.32
    water 0.4
    ethyl acetate 1302.28
    n-propanol 1118.96
    acetone 2361.65
    n-butanol 987.38
    acetonitrile 1103.82
    DMF 2989.86
    toluene 549.66
    isobutanol 846.07
    1,4-dioxane 1750.56
    methyl acetate 1050.92
    THF 2372.07
    2-butanone 1383.09
    n-pentanol 697.68
    sec-butanol 797.21
    n-hexane 37.32
    ethylene glycol 301.8
    NMP 2144.29
    cyclohexane 79.59
    DMSO 3466.99
    n-butyl acetate 712.07
    n-octanol 133.73
    chloroform 3384.97
    n-propyl acetate 677.03
    acetic acid 1386.56
    dichloromethane 3299.8
    cyclohexanone 1903.24
    propylene glycol 497.47
    isopropyl acetate 847.17
    DMAc 2512.84
    2-ethoxyethanol 1016.28
    isopentanol 847.73
    n-heptane 11.15
    ethyl formate 631.77
    1,2-dichloroethane 2203.98
    n-hexanol 445.06
    2-methoxyethanol 1712.11
    isobutyl acetate 500.27
    tetrachloromethane 264.96
    n-pentyl acetate 329.51
    transcutol 3544.8
    n-heptanol 136.13
    ethylbenzene 226.55
    MIBK 670.87
    2-propoxyethanol 902.93
    tert-butanol 1095.03
    MTBE 1061.76
    2-butoxyethanol 380.07
    propionic acid 868.35
    o-xylene 302.37
    formic acid 513.59
    diethyl ether 1058.79
    m-xylene 336.62
    p-xylene 301.4
    chlorobenzene 889.7
    dimethyl carbonate 456.27
    n-octane 5.39
    formamide 790.52
    cyclopentanone 1969.79
    2-pentanone 1138.54
    anisole 609.64
    cyclopentyl methyl ether 1060.13
    gamma-butyrolactone 1999.2
    1-methoxy-2-propanol 1212.32
    pyridine 1548.61
    3-pentanone 781.37
    furfural 1570.63
    n-dodecane 6.41
    diethylene glycol 754.84
    diisopropyl ether 224.18
    tert-amyl alcohol 813.55
    acetylacetone 1356.13
    n-hexadecane 7.86
    acetophenone 586.38
    methyl propionate 1006.73
    isopentyl acetate 661.04
    trichloroethylene 3851.87
    n-nonanol 123.64
    cyclohexanol 884.25
    benzyl alcohol 576.05
    2-ethylhexanol 228.79
    isooctanol 123.92
    dipropyl ether 245.96
    1,2-dichlorobenzene 727.18
    ethyl lactate 276.15
    propylene carbonate 1025.52
    n-methylformamide 1034.22
    2-pentanol 502.62
    n-pentane 27.18
    1-propoxy-2-propanol 551.98
    1-methoxy-2-propyl acetate 742.29
    2-(2-methoxypropoxy) propanol 486.43
    mesitylene 179.25
    ε-caprolactone 1437.54
    p-cymene 108.42
    epichlorohydrin 2445.68
    1,1,1-trichloroethane 1482.64
    2-aminoethanol 653.38
    morpholine-4-carbaldehyde 1786.43
    sulfolane 2294.0
    2,2,4-trimethylpentane 29.84
    2-methyltetrahydrofuran 1615.68
    n-hexyl acetate 471.32
    isooctane 21.16
    2-(2-butoxyethoxy)ethanol 707.06
    sec-butyl acetate 498.77
    tert-butyl acetate 798.67
    decalin 47.41
    glycerin 605.79
    diglyme 1304.51
    acrylic acid 779.16
    isopropyl myristate 153.59
    n-butyric acid 1306.36
    acetyl acetate 768.36
    di(2-ethylhexyl) phthalate 189.28
    ethyl propionate 568.23
    nitromethane 2176.47
    1,2-diethoxyethane 821.21
    benzonitrile 645.53
    trioctyl phosphate 111.11
    1-bromopropane 971.2
    gamma-valerolactone 2239.64
    n-decanol 89.17
    triethyl phosphate 187.81
    4-methyl-2-pentanol 272.06
    propionitrile 751.73
    vinylene carbonate 956.35
    1,1,2-trichlorotrifluoroethane 1653.11
    DMS 531.46
    cumene 147.25
    2-octanol 91.71
    2-hexanone 708.63
    octyl acetate 193.0
    limonene 178.05
    1,2-dimethoxyethane 1492.07
    ethyl orthosilicate 190.44
    tributyl phosphate 175.18
    diacetone alcohol 800.77
    N,N-dimethylaniline 375.09
    acrylonitrile 960.76
    aniline 871.98
    1,3-propanediol 871.62
    bromobenzene 971.58
    dibromomethane 1954.14
    1,1,2,2-tetrachloroethane 2976.45
    2-methyl-cyclohexyl acetate 346.13
    tetrabutyl urea 225.41
    diisobutyl methanol 125.38
    2-phenylethanol 433.16
    styrene 343.39
    dioctyl adipate 268.37
    dimethyl sulfate 763.73
    ethyl butyrate 403.58
    methyl lactate 466.61
    butyl lactate 294.15
    diethyl carbonate 279.7
    propanediol butyl ether 435.13
    triethyl orthoformate 276.19
    p-tert-butyltoluene 102.7
    methyl 4-tert-butylbenzoate 375.8
    morpholine 2346.73
    tert-butylamine 595.35
    n-dodecanol 66.65
    dimethoxymethane 1341.77
    ethylene carbonate 811.0
    cyrene 474.03
    2-ethoxyethyl acetate 623.64
    2-ethylhexyl acetate 473.09
    1,2,4-trichlorobenzene 919.21
    4-methylpyridine 1611.1
    dibutyl ether 239.08
    2,6-dimethyl-4-heptanol 125.38
    DEF 1416.11
    dimethyl isosorbide 722.69
    tetrachloroethylene 1660.74
    eugenol 373.26
    triacetin 532.48
    span 80 371.56
    1,4-butanediol 365.2
    1,1-dichloroethane 1949.13
    2-methyl-1-pentanol 607.91
    methyl formate 710.54
    2-methyl-1-butanol 811.26
    n-decane 10.99
    butyronitrile 849.86
    3,7-dimethyl-1-octanol 186.3
    1-chlorooctane 97.64
    1-chlorotetradecane 35.82
    n-nonane 9.38
    undecane 7.95
    tert-butylcyclohexane 40.33
    cyclooctane 17.27
    cyclopentanol 826.65
    tetrahydropyran 1690.55
    tert-amyl methyl ether 642.41
    2,5,8-trioxanonane 842.59
    1-hexene 267.78
    2-isopropoxyethanol 669.49
    2,2,2-trifluoroethanol 414.29
    methyl butyrate 835.07

    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