trans-3-Hexen-1-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    544-12-7

    Molecular formula
    C6H12O

    SMILES
    CC/C=C/CCO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 860.0
    • Carbowax: 1375.5

  • Odor profile

    Green 97.69%
    Fruity 81.93%
    Fresh 76.09%
    Vegetable 70.13%
    Fatty 69.74%
    Leafy 63.08%
    Herbal 63.02%
    Grassy 59.27%
    Oily 57.6%
    Apple 56.9%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    156°C

    Flash point est.
    65.22 ˚C

    Solubility expt.

    • Soluble in water and most fixed oils
    • Soluble (in ethanol)

  • Synonyms

    • trans-3-Hexen-1-ol
    • 928-97-2
    • (E)-Hex-3-en-1-ol
    • trans-3-Hexenol
    • (3E)-hex-3-en-1-ol
    • trans-Hex-3-en-1-ol
    • 3-Hexen-1-ol
    • 544-12-7
    • (E)-3-Hexen-1-ol
    • 3-Hexen-1-ol, (E)-
    • 3-Hexen-1-ol, (3E)-
    • (3E)-3-Hexen-1-ol
    • 3E-Hexen-1-ol
    • 3-Hexen-1-ol (c,t)
    • 4E0NFR5B3U
    • DTXSID1022138
    • trans-3-Hexen-1-ol, 97%
    • (e)-3-hexenol
    • beta,gamma-Hexenol
    • EINECS 208-860-0
    • EINECS 213-193-3
    • UNII-4E0NFR5B3U
    • UNII-2PL1637OP6
    • AI3-25091
    • AI3-34794
    • MFCD00002960
    • ?-? Hexenol
    • (3E)-hexen-1-ol
    • Hex-3-en-1-al
    • starbld0000856
    • Hex-trans-3-en-1-ol
    • SCHEMBL96295
    • DTXCID502138
    • CHEMBL3184538
    • TRANS-3-HEXENOL [FHFI]
    • 3-HEXEN-1-OL, TRANS-
    • CHEBI:145715
    • CHEBI:147326
    • 2PL1637OP6
    • Tox21_301972
    • LMFA05000113
    • AKOS009158279
    • FG30520
    • trans-3-Hexen-1-ol, 97%, stabilized
    • NCGC00255208-01
    • AS-77620
    • CAS-928-97-2
    • DB-257139
    • NS00079683
    • G77241
    • A844382
    • Q27259468
    • F0001-2233

  • Applications

    trans-3-Hexen-1-ol (CAS 544-12-7), also known as (E)-3-hexen-1-ol or leaf alcohol, delivers a fresh green, cut-grass/leafy tonality and is widely used across flavors and fragrances to add natural freshness, juiciness and realism to citrus, floral, herbal and fruit profiles (apple, pear, berry, melon, cucumber, green tea, tomato, leafy vegetables); in beverages, confectionery, dairy, bakery, vegetable/fruit preparations and seasonings it is dosed at trace levels to lift the green note and smooth aftertastes; in perfumes, detergents, fabric softeners, candles and air care it functions as a crisp green top note complementing galbanum/violet-leaf accords; it is also a building block for trans-3-hexenyl esters (acetate, butyrate, etc.) and an analytical GLV standard in food-aroma and plant–insect interaction research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3289.17
    methanol 2330.66
    isopropanol 2605.0
    water 1.39
    ethyl acetate 802.84
    n-propanol 2457.34
    acetone 1533.73
    n-butanol 2334.68
    acetonitrile 890.08
    DMF 1368.6
    toluene 210.22
    isobutanol 1581.83
    1,4-dioxane 1490.79
    methyl acetate 670.76
    THF 2647.74
    2-butanone 905.98
    n-pentanol 1016.09
    sec-butanol 1677.27
    n-hexane 301.6
    ethylene glycol 506.73
    NMP 873.06
    cyclohexane 426.77
    DMSO 2571.55
    n-butyl acetate 946.78
    n-octanol 417.13
    chloroform 1654.56
    n-propyl acetate 448.35
    acetic acid 1408.7
    dichloromethane 1694.8
    cyclohexanone 1332.66
    propylene glycol 711.36
    isopropyl acetate 378.04
    DMAc 451.02
    2-ethoxyethanol 790.28
    isopentanol 1343.02
    n-heptane 472.64
    ethyl formate 602.07
    1,2-dichloroethane 972.25
    n-hexanol 1634.63
    2-methoxyethanol 1864.65
    isobutyl acetate 242.05
    tetrachloromethane 378.32
    n-pentyl acetate 339.98
    transcutol 1699.33
    n-heptanol 480.42
    ethylbenzene 105.68
    MIBK 368.87
    2-propoxyethanol 1346.96
    tert-butanol 1919.92
    MTBE 829.08
    2-butoxyethanol 572.1
    propionic acid 1123.23
    o-xylene 122.75
    formic acid 288.37
    diethyl ether 1098.82
    m-xylene 146.58
    p-xylene 128.13
    chlorobenzene 328.85
    dimethyl carbonate 133.63
    n-octane 88.44
    formamide 371.93
    cyclopentanone 1416.46
    2-pentanone 871.8
    anisole 233.36
    cyclopentyl methyl ether 980.73
    gamma-butyrolactone 1331.74
    1-methoxy-2-propanol 1261.4
    pyridine 827.65
    3-pentanone 432.72
    furfural 790.42
    n-dodecane 53.55
    diethylene glycol 840.12
    diisopropyl ether 239.88
    tert-amyl alcohol 1058.69
    acetylacetone 538.43
    n-hexadecane 57.24
    acetophenone 193.95
    methyl propionate 526.56
    isopentyl acetate 610.89
    trichloroethylene 1259.34
    n-nonanol 322.22
    cyclohexanol 1337.59
    benzyl alcohol 248.23
    2-ethylhexanol 768.66
    isooctanol 319.81
    dipropyl ether 997.15
    1,2-dichlorobenzene 251.94
    ethyl lactate 183.32
    propylene carbonate 582.28
    n-methylformamide 856.2
    2-pentanol 1276.35
    n-pentane 391.61
    1-propoxy-2-propanol 1094.24
    1-methoxy-2-propyl acetate 472.01
    2-(2-methoxypropoxy) propanol 355.69
    mesitylene 98.74
    ε-caprolactone 888.61
    p-cymene 145.08
    epichlorohydrin 1297.54
    1,1,1-trichloroethane 769.19
    2-aminoethanol 1096.28
    morpholine-4-carbaldehyde 835.45
    sulfolane 1417.36
    2,2,4-trimethylpentane 93.42
    2-methyltetrahydrofuran 1865.89
    n-hexyl acetate 446.04
    isooctane 89.3
    2-(2-butoxyethoxy)ethanol 574.25
    sec-butyl acetate 224.14
    tert-butyl acetate 344.49
    decalin 91.9
    glycerin 649.68
    diglyme 917.0
    acrylic acid 655.06
    isopropyl myristate 175.25
    n-butyric acid 1764.34
    acetyl acetate 282.93
    di(2-ethylhexyl) phthalate 149.09
    ethyl propionate 318.87
    nitromethane 1191.84
    1,2-diethoxyethane 685.58
    benzonitrile 349.63
    trioctyl phosphate 150.82
    1-bromopropane 1015.75
    gamma-valerolactone 1296.14
    n-decanol 240.79
    triethyl phosphate 156.07
    4-methyl-2-pentanol 422.64
    propionitrile 862.38
    vinylene carbonate 456.03
    1,1,2-trichlorotrifluoroethane 723.19
    DMS 203.03
    cumene 81.45
    2-octanol 282.32
    2-hexanone 508.64
    octyl acetate 222.8
    limonene 335.61
    1,2-dimethoxyethane 1065.57
    ethyl orthosilicate 167.06
    tributyl phosphate 169.33
    diacetone alcohol 491.55
    N,N-dimethylaniline 146.84
    acrylonitrile 772.59
    aniline 386.88
    1,3-propanediol 1423.99
    bromobenzene 314.02
    dibromomethane 1339.36
    1,1,2,2-tetrachloroethane 955.79
    2-methyl-cyclohexyl acetate 289.51
    tetrabutyl urea 222.74
    diisobutyl methanol 334.15
    2-phenylethanol 337.42
    styrene 144.83
    dioctyl adipate 236.46
    dimethyl sulfate 204.11
    ethyl butyrate 566.21
    methyl lactate 247.0
    butyl lactate 273.7
    diethyl carbonate 257.85
    propanediol butyl ether 519.53
    triethyl orthoformate 334.04
    p-tert-butyltoluene 140.93
    methyl 4-tert-butylbenzoate 224.48
    morpholine 2036.04
    tert-butylamine 1350.73
    n-dodecanol 189.28
    dimethoxymethane 740.47
    ethylene carbonate 425.33
    cyrene 250.63
    2-ethoxyethyl acetate 335.54
    2-ethylhexyl acetate 446.48
    1,2,4-trichlorobenzene 274.76
    4-methylpyridine 649.73
    dibutyl ether 510.48
    2,6-dimethyl-4-heptanol 334.15
    DEF 733.38
    dimethyl isosorbide 504.3
    tetrachloroethylene 678.03
    eugenol 246.01
    triacetin 258.16
    span 80 475.94
    1,4-butanediol 444.46
    1,1-dichloroethane 1088.32
    2-methyl-1-pentanol 584.03
    methyl formate 468.08
    2-methyl-1-butanol 1205.92
    n-decane 88.72
    butyronitrile 1241.83
    3,7-dimethyl-1-octanol 347.15
    1-chlorooctane 242.71
    1-chlorotetradecane 96.91
    n-nonane 101.25
    undecane 65.5
    tert-butylcyclohexane 90.75
    cyclooctane 113.84
    cyclopentanol 1745.83
    tetrahydropyran 2138.7
    tert-amyl methyl ether 483.87
    2,5,8-trioxanonane 597.92
    1-hexene 679.79
    2-isopropoxyethanol 472.39
    2,2,2-trifluoroethanol 224.93
    methyl butyrate 507.39

    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
Amomum ptycholimatum Amomum ptycholimatum D. Fang, fam. Zingiberaceae 4.0%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 1.09%
Monarda fistulosa, var. menthaefolia 2 Monarda fistulosa L. var. menthaefolia, fam. Lamiaceae (Labiatae) 0.5%
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.04%
Osmanthus headspace (flowers) (China) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. auranticus Makino, fam. Oleaceae 0.11%
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 1.06%
Grapefruit (Italy) 2 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 0.3%
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.1%
Ageratum conyzoides (China) Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.72%
Clerodendrum fragrans flower (China) Clerodendrum fragrans Vent., fam. Verbenaceae 0.23%
Guava fruit headspace (China) 91770-12-6 Psidium guajava L., fam. Myrtaceae 6.07%
Passion fruit (China) 2 Passiflora edulis Sims var. flavicarpa Dengener, fam. Passifloraceae 1.14%
Ylang Ylang (Colombia) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.01%
Wedelia paludosa (Brazil) 2 Wedelia paludosa DC. (Mal-me-quer), fam. Asteraceae (Compositae) 0.01%
Verbena officinalis leaf (Morocco) Verbena officinalis L., fam. Verbenaceae 0.05%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.17%
Jasmine (China) 2a (headspace) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.17%
Jasmine (China) 2b (absolute) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.12%
Ocimum gratissimum (China) 1 Ocimum gratissimum L., var. suave, fam. Lamiaceae (Labiatae) 0.08%
Ocimum gratissimum (China) 2 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.05%
Solanum stuckertii flower Solanum stuckertii Bitter, fam. Solanaceae 0.77%
Solanum incisum flower Solanum incisum Griseb., fam. Solanaceae 3.51%
Bactris gasipaes fruit Bactris gasipaes H.B.K., fam. Arecaceae 6.9%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.07%
Perilla frutescens (China) 4 acuta Perilla frutescens (L.) Brit. var. acuta (Thunb.) Kudo, fam. Lamiaceae 0.27%
Perilla frutescens (China) 2a herb 90082-61-4 Perilla frutescens (L.) Brit., fam. Lamiaceae (Labiatae) 0.1%
Perilla frutescens (China) 2b leaf 90082-61-4 Perilla frutescens (L.) Brit., fam. Lamiaceae (Labiatae) 0.1%
Aegopodium podagraria Aegodopodium podagraria L., fam. Apiaceae (Umbelliferae) 0.2%
Persicaria odorata Persicarica odorata (Lour.) Sojak (Polygonum odoratum (Lour.) Polygonaceae 0.3%
Ocimum gratissimum (China) 4 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.36%
Ocimum gratissimum (Cameroon) 2 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.15%
Hyptis spicigera (Mali) Hyptis spicigera Lam., fam. Lamiaceae (Labiatae) 0.05%
Pepper, black (India) 6b free volatiles 8006-82-4 Piper nigrum L., fam. Piperaceae 0.5%
Lippia alba (Uruguay) cultivar Lippia alba (Mill.) N.E. Brown, fam. Verbenaceae 0.1%
Murraya koenigii (India) Murraya koenigii (L.) Spreng., fam. Rutaceae 0.01%
Neolitsea australiensis leaf (Australia) Neolitsea australiensis Kosterm., fam. Lauraceae 0.1%
Neolitsea brassii leaf (Australia) Neolitsea brassii Allen, fam. Lauraceae 0.2%
Elionurus muticus (Zimbabwe) Elionurus muticus (Spreng.) Kunth, fam. Poaceae (Gramineae) 0.2%
Oregano, greek (Italy) 3 84012-24-8 Origanum vulgare L., fam. Lamiaceae (Labiatae) 0.02%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.02%