Ethyl 3-hydroxyhexanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2305-25-1

    Molecular formula
    C8H16O3

    SMILES
    CCCC(CC(=O)OCC)O

    Retention indicies (RI)

    • DB5: 1330.0
    • Carbowax: 1677.0

  • Odor profile

    Fruity 94.6%
    Green 68.47%
    Sweet 68.26%
    Apple 58.16%
    Pineapple 54.77%
    Winey 52.72%
    Tropical 51.38%
    Fresh 49.1%
    Banana 39.5%
    Woody 39.16%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 101.00 to 102.00 °C. @ 14.00 mm Hg

    Flash point est.
    88.65 ˚C

    Solubility expt.

    • insoluble in water and oils

  • Synonyms

    • Ethyl 3-hydroxyhexanoate
    • 2305-25-1
    • Hexanoic acid, 3-hydroxy-, ethyl ester
    • Ethyl beta-hydroxycaproate
    • FEMA No. 3545
    • Ethyl 3-hydroxycaproate
    • ethyl 3-hydroxy-hexanoate
    • 2M3L6B34FF
    • 3-hydroxy-hexanoic acid ethyl ester
    • EINECS 218-973-7
    • MFCD00036604
    • Ethyl hydroxy-3-hexanoate
    • WE(2:0/6:0(3OH))
    • CHEBI:23997
    • DTXSID10862898
    • 3-HYDROXYHEXANOIC ACID ETHYL ESTER
    • ETHYL 3-HYDROXYHEXANOATE [FHFI]
    • (+/-)-ETHYL 3-HYDROXYHEXANOATE
    • ETHYL 3-HYDROXYHEXANOATE, (+/-)-
    • CAPROIC ACID, .BETA.-HYDROXY-, ETHYL ESTER
    • UNII-2M3L6B34FF
    • ethyl 3-hydroxy hexanoate
    • SCHEMBL873010
    • ETHYL-3-HYDROXYHEXANOATE
    • racemic ethyl 3-hydroxyhexanoate
    • FEMA 3545
    • DTXCID30811601
    • Ethyl (+/-)-3-hydroxyhexanoate
    • GLXC-25681
    • BCP24429
    • LMFA07010516
    • AKOS009159203
    • CS-W013272
    • Ethyl 3-hydroxyhexanoate, >=98%, FG
    • SY048396
    • DB-114492
    • E0788
    • NS00012411
    • D70264
    • EN300-111675
    • CAPROIC ACID, BETA-HYDROXY-, ETHYL ESTER
    • Q27109826
    • 218-973-7

  • Applications

    Ethyl 3-hydroxyhexanoate (CAS 2305-25-1) is a mild, fruity ester used extensively in the flavor and fragrance industry to impart apple, berry and yogurt nuances and to smooth the after-taste of fermented beverages; in cosmetics it adds a fresh green facet to fine fragrances and low-volatility personal-care products; in organic synthesis it serves as a convenient building block for lactone formation, for chain-extension of bio-based polyhydroxyalkanoates and for preparing bio-active derivatives, because its secondary hydroxyl group allows selective protection or transformation; moreover, the compound is being studied as a renewable monomer source for environmentally friendly, biodegradable materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2552.23
    methanol 4175.8
    isopropanol 1952.0
    water 15.04
    ethyl acetate 576.46
    n-propanol 1609.96
    acetone 1631.14
    n-butanol 1312.16
    acetonitrile 805.37
    DMF 2541.01
    toluene 111.64
    isobutanol 1044.03
    1,4-dioxane 1614.11
    methyl acetate 544.37
    THF 2427.05
    2-butanone 594.86
    n-pentanol 699.16
    sec-butanol 1101.66
    n-hexane 46.22
    ethylene glycol 999.53
    NMP 1753.88
    cyclohexane 99.37
    DMSO 2485.7
    n-butyl acetate 322.49
    n-octanol 247.27
    chloroform 1075.09
    n-propyl acetate 265.15
    acetic acid 3220.86
    dichloromethane 848.22
    cyclohexanone 1188.07
    propylene glycol 1250.18
    isopropyl acetate 351.91
    DMAc 1271.74
    2-ethoxyethanol 910.29
    isopentanol 839.58
    n-heptane 25.19
    ethyl formate 526.9
    1,2-dichloroethane 581.68
    n-hexanol 612.25
    2-methoxyethanol 2272.21
    isobutyl acetate 180.45
    tetrachloromethane 114.37
    n-pentyl acetate 204.35
    transcutol 1821.61
    n-heptanol 185.89
    ethylbenzene 71.55
    MIBK 319.12
    2-propoxyethanol 988.83
    tert-butanol 1839.66
    MTBE 564.57
    2-butoxyethanol 389.54
    propionic acid 1195.51
    o-xylene 95.55
    formic acid 1164.03
    diethyl ether 488.07
    m-xylene 104.23
    p-xylene 101.47
    chlorobenzene 261.06
    dimethyl carbonate 200.1
    n-octane 10.52
    formamide 1012.72
    cyclopentanone 1288.94
    2-pentanone 582.78
    anisole 221.93
    cyclopentyl methyl ether 672.46
    gamma-butyrolactone 1619.43
    1-methoxy-2-propanol 1414.09
    pyridine 632.19
    3-pentanone 313.64
    furfural 1125.27
    n-dodecane 12.11
    diethylene glycol 971.26
    diisopropyl ether 116.84
    tert-amyl alcohol 1099.04
    acetylacetone 650.65
    n-hexadecane 13.67
    acetophenone 235.88
    methyl propionate 457.01
    isopentyl acetate 280.62
    trichloroethylene 1034.11
    n-nonanol 202.6
    cyclohexanol 1055.69
    benzyl alcohol 305.9
    2-ethylhexanol 227.78
    isooctanol 139.45
    dipropyl ether 194.82
    1,2-dichlorobenzene 234.48
    ethyl lactate 206.46
    propylene carbonate 761.36
    n-methylformamide 1178.73
    2-pentanol 649.46
    n-pentane 46.87
    1-propoxy-2-propanol 575.11
    1-methoxy-2-propyl acetate 369.14
    2-(2-methoxypropoxy) propanol 380.61
    mesitylene 76.87
    ε-caprolactone 965.38
    p-cymene 63.73
    epichlorohydrin 1282.0
    1,1,1-trichloroethane 483.55
    2-aminoethanol 1439.97
    morpholine-4-carbaldehyde 1429.36
    sulfolane 1759.58
    2,2,4-trimethylpentane 27.65
    2-methyltetrahydrofuran 1227.07
    n-hexyl acetate 371.09
    isooctane 20.72
    2-(2-butoxyethoxy)ethanol 602.2
    sec-butyl acetate 174.25
    tert-butyl acetate 389.06
    decalin 36.55
    glycerin 1286.62
    diglyme 891.4
    acrylic acid 1032.21
    isopropyl myristate 129.06
    n-butyric acid 1469.13
    acetyl acetate 395.87
    di(2-ethylhexyl) phthalate 153.44
    ethyl propionate 227.95
    nitromethane 2303.57
    1,2-diethoxyethane 352.64
    benzonitrile 354.05
    trioctyl phosphate 119.12
    1-bromopropane 292.5
    gamma-valerolactone 1670.64
    n-decanol 143.86
    triethyl phosphate 116.57
    4-methyl-2-pentanol 274.95
    propionitrile 550.29
    vinylene carbonate 651.97
    1,1,2-trichlorotrifluoroethane 1059.86
    DMS 264.05
    cumene 62.41
    2-octanol 136.85
    2-hexanone 299.5
    octyl acetate 178.19
    limonene 118.64
    1,2-dimethoxyethane 1178.86
    ethyl orthosilicate 114.07
    tributyl phosphate 145.64
    diacetone alcohol 614.9
    N,N-dimethylaniline 161.7
    acrylonitrile 623.71
    aniline 333.01
    1,3-propanediol 1613.04
    bromobenzene 213.14
    dibromomethane 539.32
    1,1,2,2-tetrachloroethane 923.11
    2-methyl-cyclohexyl acetate 194.53
    tetrabutyl urea 194.9
    diisobutyl methanol 124.23
    2-phenylethanol 268.41
    styrene 90.31
    dioctyl adipate 214.22
    dimethyl sulfate 370.97
    ethyl butyrate 206.71
    methyl lactate 420.1
    butyl lactate 239.51
    diethyl carbonate 152.89
    propanediol butyl ether 560.96
    triethyl orthoformate 162.48
    p-tert-butyltoluene 65.28
    methyl 4-tert-butylbenzoate 252.64
    morpholine 2110.93
    tert-butylamine 801.39
    n-dodecanol 104.82
    dimethoxymethane 850.13
    ethylene carbonate 570.82
    cyrene 380.49
    2-ethoxyethyl acetate 282.78
    2-ethylhexyl acetate 191.16
    1,2,4-trichlorobenzene 300.46
    4-methylpyridine 592.26
    dibutyl ether 186.75
    2,6-dimethyl-4-heptanol 124.23
    DEF 760.1
    dimethyl isosorbide 571.08
    tetrachloroethylene 587.18
    eugenol 270.69
    triacetin 343.78
    span 80 419.87
    1,4-butanediol 575.77
    1,1-dichloroethane 604.55
    2-methyl-1-pentanol 464.69
    methyl formate 757.33
    2-methyl-1-butanol 758.39
    n-decane 19.68
    butyronitrile 692.01
    3,7-dimethyl-1-octanol 214.79
    1-chlorooctane 101.39
    1-chlorotetradecane 40.14
    n-nonane 18.85
    undecane 14.65
    tert-butylcyclohexane 35.64
    cyclooctane 21.18
    cyclopentanol 1311.58
    tetrahydropyran 1341.65
    tert-amyl methyl ether 355.35
    2,5,8-trioxanonane 637.87
    1-hexene 164.12
    2-isopropoxyethanol 504.33
    2,2,2-trifluoroethanol 639.95
    methyl butyrate 362.22

    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

Botanical

Name CAS Botanical Proportion
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.14%
Astrocarium vulgare fruit Astrocarium vulgare Mart., fam. Arecaceae 1.6%
Baga fruit Annona glabra L., fam. Annonaceae 0.01%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.25%