1-Hexen-3-Ol

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  • Identifiers

    CAS number
    4798-44-1

    Molecular formula
    C6H12O

    SMILES
    CCCC(C=C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 789.0
    • Carbowax: 1303.0

  • Odor profile

    Fragrance
    Green 86.02%
    Fruity 62.78%
    Earthy 60.19%
    Pungent 53.21%
    Metallic 52.82%
    Vegetable 52.25%
    Mushroom 52.18%
    Ethereal 47.17%
    Sweet 39.21%
    Herbal 37.58%

     

    Flavor
    Green 84.94%
    Vegetable 40.08%
    Pungent 39.85%
    Ethereal 39.71%
    Oily 39.22%
    Fruity 38.61%
    Tomato 34.39%
    Earthy 34.16%
    Tropical 33.22%
    Bitter 31.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.71 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    136°C

    Flash point

    • 36.33 ˚C est.

    Solubility expt.

    • 25.2 mg/mL at 25 °C
    • insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 1-HEXEN-3-OL
    • Hex-1-en-3-ol
    • 4798-44-1
    • Propylvinylcarbinol
    • 3-Hydroxy-1-hexene
    • 1-Vinylbutanol
    • Propyl vinyl carbinol
    • 1-Vinylbutan-1-ol
    • 1-Hexene-3-ol
    • FEMA No. 3608
    • EINECS 225-355-0
    • NSC 89701
    • UNII-Q5O8U05965
    • AI3-28612
    • MFCD00004581
    • NSC-89701
    • Q5O8U05965
    • 1-PROPYLALLYL ALCOHOL
    • DTXSID1022219
    • 1-HEXEN-3-OL [FHFI]
    • BVOSSZSHBZQJOI-UHFFFAOYSA-
    • (+/-)-1-HEXEN-3-OL
    • 1-HEXEN-3-OL, (+/-)-
    • Vinyl propyl carbinol
    • (3S)-1-hexen-3-ol
    • Hexen-3-ol
    • 1-Hexen-3-ol, 98%
    • SCHEMBL187270
    • DTXCID502219
    • CHEMBL2270634
    • FEMA 3608
    • CHEBI:173346
    • 1-Hexen-3-ol, analytical standard
    • NSC89701
    • AKOS009158911
    • LS-13174
    • SY048915
    • 1-Hexen-3-ol, >=98%, stabilized, FG
    • DB-019198
    • CS-0188333
    • H0659
    • NS00012566
    • D90922
    • EN300-227125
    • 1-Hexen-3-ol stabilized with 0.1% alpha tocopherol
    • Q27287030

  • Applications

    1-Hexen-3-Ol (CAS 4798-44-1) is primarily used as a fragrance intermediate and aroma precursor in perfumery, contributing to green, fresh notes when converted into higher-value aroma compounds. It also serves as a building block in the synthesis of specialty aroma ingredients for cosmetics and personal care products. In household products and cleaners, it may function as a fragrance component or odor-active intermediate in formulations. In industrial manufacturing, it serves as a chemical intermediate for the synthesis of further specialty chemicals, and in the polymers/plastics sector it can act as a reactive building block for functional monomers or additives used in coatings, inks, or plastic formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 593.41
    methanol 691.62
    isopropanol 540.3
    water 1.59
    ethyl acetate 227.48
    n-propanol 521.49
    acetone 331.5
    n-butanol 521.55
    acetonitrile 218.29
    DMF 252.34
    toluene 61.79
    isobutanol 414.01
    1,4-dioxane 431.97
    methyl acetate 218.26
    THF 813.58
    2-butanone 294.39
    n-pentanol 366.43
    sec-butanol 486.29
    n-hexane 142.64
    ethylene glycol 107.25
    NMP 347.69
    cyclohexane 86.88
    DMSO 510.76
    n-butyl acetate 458.33
    n-octanol 238.06
    chloroform 398.84
    n-propyl acetate 226.28
    acetic acid 322.66
    dichloromethane 292.31
    cyclohexanone 429.78
    propylene glycol 165.19
    isopropyl acetate 161.14
    DMAc 175.7
    2-ethoxyethanol 301.52
    isopentanol 431.37
    n-heptane 120.6
    ethyl formate 157.69
    1,2-dichloroethane 182.91
    n-hexanol 651.86
    2-methoxyethanol 411.42
    isobutyl acetate 172.29
    tetrachloromethane 113.28
    n-pentyl acetate 197.38
    transcutol 859.26
    n-heptanol 246.08
    ethylbenzene 56.72
    MIBK 186.72
    2-propoxyethanol 551.76
    tert-butanol 636.23
    MTBE 399.87
    2-butoxyethanol 283.43
    propionic acid 319.99
    o-xylene 59.32
    formic acid 92.49
    diethyl ether 299.66
    m-xylene 68.31
    p-xylene 78.54
    chlorobenzene 121.31
    dimethyl carbonate 39.61
    n-octane 41.95
    formamide 72.56
    cyclopentanone 464.68
    2-pentanone 262.91
    anisole 116.03
    cyclopentyl methyl ether 340.12
    gamma-butyrolactone 446.61
    1-methoxy-2-propanol 343.81
    pyridine 209.46
    3-pentanone 153.9
    furfural 301.91
    n-dodecane 30.43
    diethylene glycol 318.56
    diisopropyl ether 122.36
    tert-amyl alcohol 492.84
    acetylacetone 199.42
    n-hexadecane 32.45
    acetophenone 110.76
    methyl propionate 144.97
    isopentyl acetate 375.31
    trichloroethylene 324.71
    n-nonanol 194.47
    cyclohexanol 364.84
    benzyl alcohol 121.35
    2-ethylhexanol 379.19
    isooctanol 206.7
    dipropyl ether 339.5
    1,2-dichlorobenzene 117.35
    ethyl lactate 99.74
    propylene carbonate 241.62
    n-methylformamide 152.52
    2-pentanol 382.1
    n-pentane 100.79
    1-propoxy-2-propanol 500.33
    1-methoxy-2-propyl acetate 242.31
    2-(2-methoxypropoxy) propanol 228.55
    mesitylene 57.41
    ε-caprolactone 333.49
    p-cymene 83.05
    epichlorohydrin 365.19
    1,1,1-trichloroethane 223.99
    2-aminoethanol 225.28
    morpholine-4-carbaldehyde 292.73
    sulfolane 527.98
    2,2,4-trimethylpentane 58.06
    2-methyltetrahydrofuran 621.74
    n-hexyl acetate 277.02
    isooctane 57.52
    2-(2-butoxyethoxy)ethanol 334.07
    sec-butyl acetate 149.04
    tert-butyl acetate 203.72
    decalin 51.47
    glycerin 191.74
    diglyme 444.42
    acrylic acid 206.19
    isopropyl myristate 119.82
    n-butyric acid 443.85
    acetyl acetate 113.72
    di(2-ethylhexyl) phthalate 104.42
    ethyl propionate 144.18
    nitromethane 280.64
    1,2-diethoxyethane 318.54
    benzonitrile 156.46
    trioctyl phosphate 97.91
    1-bromopropane 223.75
    gamma-valerolactone 413.03
    n-decanol 148.65
    triethyl phosphate 88.34
    4-methyl-2-pentanol 213.99
    propionitrile 233.48
    vinylene carbonate 173.98
    1,1,2-trichlorotrifluoroethane 243.65
    DMS 107.81
    cumene 60.43
    2-octanol 179.98
    2-hexanone 275.13
    octyl acetate 145.78
    limonene 150.77
    1,2-dimethoxyethane 430.57
    ethyl orthosilicate 97.0
    tributyl phosphate 111.97
    diacetone alcohol 249.66
    N,N-dimethylaniline 89.62
    acrylonitrile 198.08
    aniline 117.67
    1,3-propanediol 323.48
    bromobenzene 111.76
    dibromomethane 243.82
    1,1,2,2-tetrachloroethane 287.93
    2-methyl-cyclohexyl acetate 195.81
    tetrabutyl urea 128.47
    diisobutyl methanol 192.56
    2-phenylethanol 187.95
    styrene 65.29
    dioctyl adipate 141.8
    dimethyl sulfate 75.16
    ethyl butyrate 244.11
    methyl lactate 100.07
    butyl lactate 166.61
    diethyl carbonate 129.82
    propanediol butyl ether 278.96
    triethyl orthoformate 167.35
    p-tert-butyltoluene 81.88
    methyl 4-tert-butylbenzoate 148.94
    morpholine 476.9
    tert-butylamine 444.9
    n-dodecanol 118.79
    dimethoxymethane 171.0
    ethylene carbonate 155.18
    cyrene 168.14
    2-ethoxyethyl acetate 184.48
    2-ethylhexyl acetate 285.22
    1,2,4-trichlorobenzene 135.11
    4-methylpyridine 205.79
    dibutyl ether 257.93
    2,6-dimethyl-4-heptanol 192.56
    DEF 214.39
    dimethyl isosorbide 327.65
    tetrachloroethylene 216.13
    eugenol 157.98
    triacetin 176.02
    span 80 264.4
    1,4-butanediol 152.91
    1,1-dichloroethane 251.99
    2-methyl-1-pentanol 326.17
    methyl formate 104.01
    2-methyl-1-butanol 399.21
    n-decane 50.18
    butyronitrile 306.03
    3,7-dimethyl-1-octanol 243.57
    1-chlorooctane 138.38
    1-chlorotetradecane 57.9
    n-nonane 53.85
    undecane 37.89
    tert-butylcyclohexane 67.66
    cyclooctane 37.26
    cyclopentanol 418.92
    tetrahydropyran 534.34
    tert-amyl methyl ether 258.57
    2,5,8-trioxanonane 330.11
    1-hexene 297.16
    2-isopropoxyethanol 242.19
    2,2,2-trifluoroethanol 78.96
    methyl butyrate 216.41

    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
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.05%
Acinos suaveolens (Turkey) Acinos suaveolens (Sibt. et Smith) G. Don f., fam. Lamiaceae (Labiatae) 0.11%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Clover, white flower (Austria) Trifolium repens L., fam Liguminosae (Papilionaceae) 1.7%
Clover, red flower (Austria) 85085-25-2 Trifolium pratense L., fam. Leguminosae (Papilionaceae) 1.3%
Grapefruit (Italy) 6 8016-20-4 Citrus paradisi MacFayden, fam. Rutaceae 0.01%
Ocimum gratissimum (Cameroon) 2 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.1%
Eucalyptus globulus (Spain) 2a old leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Eucalyptus globulus (Spain) 2b young leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.1%
Turmeric (India) 5a rhizome 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.1%
Cinnamon leaf (India) 5 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.1%
Pepper, black (India) 4 8006-82-4 Piper nigrum L., fam. Piperaceae 0.01%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.01%