Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-

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  • Identifiers

    CAS number
    102832-13-3

    Molecular formula
    C9H16O3

    SMILES
    CCC/C=C\COC(=O)C(C)O

    Safety labels

  • Odor profile

    Fragrance
    Green 90.94%
    Fruity 72.4%
    Waxy 64.43%
    Tropical 55.29%
    Fresh 54.92%
    Melon 50.86%
    Fatty 49.93%
    Vegetable 46.86%
    Sweet 44.73%
    Leafy 41.98%

     

    Flavor
    Fruity 77.12%
    Green 71.44%
    Waxy 61.97%
    Sweet 49.58%
    Tropical 44.05%
    Oily 38.07%
    Apple 37.1%
    Pear 36.01%
    Fatty 35.76%
    Creamy 30.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.18 (weak base)

    Molecular weight
    172.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 104.79 ˚C est.

  • Synonyms

    • Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-
    • 102832-13-3
    • RefChem:869206
    • CLRYHPFNHRAPPN-WAYWQWQTSA-N
    • DTXSID901364666
    • 102832-13-3

  • Applications

    Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)- (CAS 102832-13-3) is an unsaturated lactyl ester used primarily as a fragrance ingredient and a scent fixative in perfumery; in cosmetics and personal care it contributes to the product's aroma profile. It may also be used in household products such as cleaners and laundry formulations as a fragrance component; as a flavor ester, it may be employed in food processing where permitted. In polymer and coating formulations it can function as a plasticizer or processing aid; and it may be considered as an intermediate in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1981.07
    methanol 3551.59
    isopropanol 1173.41
    water 2.77
    ethyl acetate 1516.53
    n-propanol 1197.16
    acetone 2121.16
    n-butanol 1103.39
    acetonitrile 951.11
    DMF 2312.94
    toluene 183.56
    isobutanol 878.02
    1,4-dioxane 1297.08
    methyl acetate 1044.27
    THF 1536.1
    2-butanone 1096.11
    n-pentanol 731.69
    sec-butanol 1034.19
    n-hexane 58.99
    ethylene glycol 554.49
    NMP 1410.48
    cyclohexane 76.27
    DMSO 3922.92
    n-butyl acetate 853.02
    n-octanol 219.48
    chloroform 907.2
    n-propyl acetate 689.46
    acetic acid 2308.97
    dichloromethane 1056.78
    cyclohexanone 1129.34
    propylene glycol 602.21
    isopropyl acetate 763.55
    DMAc 1404.57
    2-ethoxyethanol 1368.23
    isopentanol 1013.8
    n-heptane 24.39
    ethyl formate 717.31
    1,2-dichloroethane 1027.77
    n-hexanol 617.08
    2-methoxyethanol 2451.27
    isobutyl acetate 393.5
    tetrachloromethane 129.32
    n-pentyl acetate 372.26
    transcutol 3638.0
    n-heptanol 227.92
    ethylbenzene 136.44
    MIBK 623.79
    2-propoxyethanol 1030.17
    tert-butanol 1870.93
    MTBE 1209.86
    2-butoxyethanol 489.09
    propionic acid 1039.05
    o-xylene 173.36
    formic acid 1200.9
    diethyl ether 957.22
    m-xylene 179.22
    p-xylene 172.93
    chlorobenzene 326.79
    dimethyl carbonate 292.16
    n-octane 14.24
    formamide 1624.59
    cyclopentanone 1360.67
    2-pentanone 1092.16
    anisole 389.31
    cyclopentyl methyl ether 837.49
    gamma-butyrolactone 1580.5
    1-methoxy-2-propanol 1555.52
    pyridine 695.47
    3-pentanone 604.19
    furfural 1161.12
    n-dodecane 13.3
    diethylene glycol 992.54
    diisopropyl ether 256.47
    tert-amyl alcohol 1553.47
    acetylacetone 1197.3
    n-hexadecane 14.77
    acetophenone 405.99
    methyl propionate 938.05
    isopentyl acetate 732.8
    trichloroethylene 1611.2
    n-nonanol 184.51
    cyclohexanol 788.47
    benzyl alcohol 386.92
    2-ethylhexanol 323.0
    isooctanol 194.98
    dipropyl ether 255.67
    1,2-dichlorobenzene 337.44
    ethyl lactate 289.29
    propylene carbonate 767.22
    n-methylformamide 1295.97
    2-pentanol 823.66
    n-pentane 53.33
    1-propoxy-2-propanol 725.06
    1-methoxy-2-propyl acetate 725.29
    2-(2-methoxypropoxy) propanol 482.16
    mesitylene 130.21
    ε-caprolactone 1029.47
    p-cymene 103.25
    epichlorohydrin 1577.26
    1,1,1-trichloroethane 612.01
    2-aminoethanol 994.6
    morpholine-4-carbaldehyde 1315.42
    sulfolane 1833.17
    2,2,4-trimethylpentane 52.25
    2-methyltetrahydrofuran 1219.36
    n-hexyl acetate 501.7
    isooctane 39.54
    2-(2-butoxyethoxy)ethanol 751.0
    sec-butyl acetate 474.44
    tert-butyl acetate 825.59
    decalin 53.13
    glycerin 809.4
    diglyme 1282.84
    acrylic acid 878.53
    isopropyl myristate 154.38
    n-butyric acid 1471.12
    acetyl acetate 696.06
    di(2-ethylhexyl) phthalate 172.12
    ethyl propionate 537.79
    nitromethane 2781.47
    1,2-diethoxyethane 832.28
    benzonitrile 395.61
    trioctyl phosphate 123.46
    1-bromopropane 466.58
    gamma-valerolactone 1541.66
    n-decanol 134.93
    triethyl phosphate 181.17
    4-methyl-2-pentanol 400.24
    propionitrile 603.82
    vinylene carbonate 631.55
    1,1,2-trichlorotrifluoroethane 1248.33
    DMS 408.55
    cumene 114.38
    2-octanol 165.9
    2-hexanone 617.77
    octyl acetate 206.3
    limonene 174.92
    1,2-dimethoxyethane 1521.77
    ethyl orthosilicate 185.17
    tributyl phosphate 176.81
    diacetone alcohol 993.33
    N,N-dimethylaniline 276.01
    acrylonitrile 833.87
    aniline 420.03
    1,3-propanediol 1304.32
    bromobenzene 303.59
    dibromomethane 687.53
    1,1,2,2-tetrachloroethane 1360.53
    2-methyl-cyclohexyl acetate 312.9
    tetrabutyl urea 217.02
    diisobutyl methanol 197.28
    2-phenylethanol 361.56
    styrene 174.66
    dioctyl adipate 252.1
    dimethyl sulfate 512.91
    ethyl butyrate 448.85
    methyl lactate 457.07
    butyl lactate 346.27
    diethyl carbonate 276.57
    propanediol butyl ether 597.39
    triethyl orthoformate 277.28
    p-tert-butyltoluene 102.98
    methyl 4-tert-butylbenzoate 313.05
    morpholine 1630.39
    tert-butylamine 971.42
    n-dodecanol 100.37
    dimethoxymethane 1141.02
    ethylene carbonate 544.29
    cyrene 428.63
    2-ethoxyethyl acetate 587.6
    2-ethylhexyl acetate 480.35
    1,2,4-trichlorobenzene 401.97
    4-methylpyridine 736.22
    dibutyl ether 253.9
    2,6-dimethyl-4-heptanol 197.28
    DEF 1223.81
    dimethyl isosorbide 715.34
    tetrachloroethylene 871.96
    eugenol 340.6
    triacetin 427.51
    span 80 413.77
    1,4-butanediol 548.03
    1,1-dichloroethane 773.03
    2-methyl-1-pentanol 723.46
    methyl formate 905.2
    2-methyl-1-butanol 962.04
    n-decane 20.59
    butyronitrile 697.7
    3,7-dimethyl-1-octanol 263.19
    1-chlorooctane 117.4
    1-chlorotetradecane 45.45
    n-nonane 20.09
    undecane 15.96
    tert-butylcyclohexane 52.01
    cyclooctane 25.22
    cyclopentanol 751.72
    tetrahydropyran 1094.42
    tert-amyl methyl ether 823.58
    2,5,8-trioxanonane 835.18
    1-hexene 256.81
    2-isopropoxyethanol 827.37
    2,2,2-trifluoroethanol 559.42
    methyl butyrate 792.71

    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