1-Penten-3-Ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    616-25-1

    Molecular formula
    C5H10O

    SMILES
    CCC(C=C)O

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 689.67
    • Carbowax: 1157.57

  • Odor profile

    Green 81.89%
    Fruity 78.34%
    Pungent 55.26%
    Ethereal 49.55%
    Earthy 47.37%
    Vegetable 44.32%
    Metallic 40.93%
    Mushroom 39.8%
    Sharp 37.44%
    Fermented 37.31%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.42 (weak base)

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 114.00 °C. @ 760.00 mm Hg

    Flash point est.
    28.61 ˚C

    Solubility expt.

    • 90.1 mg/mL at 25 °C
    • sparsely soluble in water; miscible in ether
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 1-PENTEN-3-OL
    • 616-25-1
    • pent-1-en-3-ol
    • Ethyl vinyl carbinol
    • 1-Ethylallyl alcohol
    • Vinyl ethyl carbinol
    • 1-Pentene-3-ol
    • 3-Hydroxy-1-pentene
    • (+/-)-1-Penten-3-ol
    • FEMA No. 3584
    • alpha-Ethylallyl alcohol
    • UNII-DYU6Q1758M
    • MFCD00004573
    • DYU6Q1758M
    • 1-penten-3-ol (E)
    • EINECS 210-472-1
    • NSC 65446
    • NSC-65446
    • .alpha.-Ethylallyl alcohol
    • AI3-28606
    • CHEBI:89944
    • VHVMXWZXFBOANQ-UHFFFAOYSA-
    • 1-PENTEN-3-OL [FHFI]
    • DTXSID70862293
    • 1-PENTEN-3-OL, (+/-)-
    • Penten-3-ol
    • Ethylvinylcarbinol
    • Pent1en3ol
    • (+/-)-1-Penten-3-ol; 1-Ethylallyl alcohol; 3-Hydroxy-1-pentene; Ethyl vinyl carbinol; NSC 65446; a-Ethylallyl alcohol
    • 1Ethylallyl alcohol
    • alphaEthylallyl alcohol
    • 1-Penten-3-ol, 99%
    • 93222-01-6
    • CHEMBL2269086
    • FEMA 3584
    • DTXCID30811080
    • NSC65446
    • 1-Penten-3-ol, analytical standard
    • 1-Penten-3-ol, >=98%, FG
    • AKOS009156940
    • SB83758
    • DB-003203
    • CS-0187602
    • NS00013106
    • P1043
    • EN300-98245
    • F15421
    • Q27162126
    • 93222-00-5

  • Applications

    1-Penten-3-ol (CAS 616-25-1), also known as 1-pent-1,3-en-ol, is a straight-chain allylic alcohol employed by the flavor industry to impart crisp apple, cucumber and cut-grass notes to confectionery, beverages and dairy products, by perfumers to introduce fresh-green nuances into fine fragrances and high-grade soaps, and by ink formulators as an active solvent in water-based printing inks and alkyd coatings; in chemical manufacturing it serves as a building block for plasticizing esters, polyethers and non-ionic surfactants, functions as a reactive monomer for high-adhesion copolymers, acts as an intermediate in the synthesis of agrochemicals and antibacterial pharmaceuticals, and is used in laboratories as a flavor marker, a selective epoxidation initiator and a model substrate for studying allylic rearrangement mechanisms in homogeneous catalysis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 793.51
    methanol 1102.68
    isopropanol 457.92
    water 6.39
    ethyl acetate 238.02
    n-propanol 523.0
    acetone 229.65
    n-butanol 559.96
    acetonitrile 216.56
    DMF 202.84
    toluene 48.5
    isobutanol 322.15
    1,4-dioxane 400.52
    methyl acetate 194.23
    THF 699.29
    2-butanone 225.01
    n-pentanol 376.65
    sec-butanol 387.38
    n-hexane 88.17
    ethylene glycol 116.6
    NMP 214.84
    cyclohexane 59.71
    DMSO 325.43
    n-butyl acetate 420.39
    n-octanol 160.57
    chloroform 339.08
    n-propyl acetate 187.89
    acetic acid 431.6
    dichloromethane 278.72
    cyclohexanone 291.85
    propylene glycol 135.13
    isopropyl acetate 138.97
    DMAc 144.89
    2-ethoxyethanol 331.89
    isopentanol 409.59
    n-heptane 83.63
    ethyl formate 178.17
    1,2-dichloroethane 161.85
    n-hexanol 508.06
    2-methoxyethanol 482.55
    isobutyl acetate 110.14
    tetrachloromethane 109.75
    n-pentyl acetate 166.6
    transcutol 942.2
    n-heptanol 185.89
    ethylbenzene 33.23
    MIBK 138.88
    2-propoxyethanol 470.18
    tert-butanol 461.92
    MTBE 303.84
    2-butoxyethanol 251.35
    propionic acid 295.31
    o-xylene 41.46
    formic acid 198.06
    diethyl ether 330.23
    m-xylene 42.4
    p-xylene 46.84
    chlorobenzene 87.77
    dimethyl carbonate 29.39
    n-octane 27.95
    formamide 163.37
    cyclopentanone 313.8
    2-pentanone 224.23
    anisole 83.03
    cyclopentyl methyl ether 248.55
    gamma-butyrolactone 319.15
    1-methoxy-2-propanol 295.21
    pyridine 193.58
    3-pentanone 122.2
    furfural 259.27
    n-dodecane 17.43
    diethylene glycol 313.95
    diisopropyl ether 98.04
    tert-amyl alcohol 378.98
    acetylacetone 157.0
    n-hexadecane 18.03
    acetophenone 78.61
    methyl propionate 126.89
    isopentyl acetate 295.41
    trichloroethylene 271.12
    n-nonanol 135.61
    cyclohexanol 288.54
    benzyl alcohol 97.06
    2-ethylhexanol 311.2
    isooctanol 149.54
    dipropyl ether 262.19
    1,2-dichlorobenzene 73.3
    ethyl lactate 69.42
    propylene carbonate 180.32
    n-methylformamide 175.12
    2-pentanol 328.27
    n-pentane 83.34
    1-propoxy-2-propanol 377.94
    1-methoxy-2-propyl acetate 201.42
    2-(2-methoxypropoxy) propanol 180.65
    mesitylene 32.58
    ε-caprolactone 274.16
    p-cymene 54.51
    epichlorohydrin 307.24
    1,1,1-trichloroethane 155.42
    2-aminoethanol 256.89
    morpholine-4-carbaldehyde 246.22
    sulfolane 277.71
    2,2,4-trimethylpentane 41.4
    2-methyltetrahydrofuran 513.89
    n-hexyl acetate 192.15
    isooctane 34.62
    2-(2-butoxyethoxy)ethanol 296.63
    sec-butyl acetate 110.85
    tert-butyl acetate 157.68
    decalin 28.92
    glycerin 170.47
    diglyme 408.94
    acrylic acid 184.15
    isopropyl myristate 75.02
    n-butyric acid 459.08
    acetyl acetate 107.63
    di(2-ethylhexyl) phthalate 72.1
    ethyl propionate 110.52
    nitromethane 288.23
    1,2-diethoxyethane 365.51
    benzonitrile 122.19
    trioctyl phosphate 63.43
    1-bromopropane 181.93
    gamma-valerolactone 341.79
    n-decanol 100.92
    triethyl phosphate 69.68
    4-methyl-2-pentanol 178.31
    propionitrile 201.43
    vinylene carbonate 137.14
    1,1,2-trichlorotrifluoroethane 207.1
    DMS 77.81
    cumene 35.72
    2-octanol 119.35
    2-hexanone 199.2
    octyl acetate 95.14
    limonene 100.24
    1,2-dimethoxyethane 401.64
    ethyl orthosilicate 81.61
    tributyl phosphate 79.75
    diacetone alcohol 185.95
    N,N-dimethylaniline 59.63
    acrylonitrile 171.57
    aniline 111.14
    1,3-propanediol 375.6
    bromobenzene 68.87
    dibromomethane 221.18
    1,1,2,2-tetrachloroethane 207.14
    2-methyl-cyclohexyl acetate 137.37
    tetrabutyl urea 84.2
    diisobutyl methanol 136.18
    2-phenylethanol 148.51
    styrene 40.24
    dioctyl adipate 99.57
    dimethyl sulfate 45.29
    ethyl butyrate 224.71
    methyl lactate 70.25
    butyl lactate 125.73
    diethyl carbonate 107.33
    propanediol butyl ether 207.58
    triethyl orthoformate 145.42
    p-tert-butyltoluene 49.98
    methyl 4-tert-butylbenzoate 95.73
    morpholine 462.19
    tert-butylamine 321.26
    n-dodecanol 77.76
    dimethoxymethane 158.07
    ethylene carbonate 122.6
    cyrene 122.31
    2-ethoxyethyl acetate 177.35
    2-ethylhexyl acetate 231.95
    1,2,4-trichlorobenzene 84.04
    4-methylpyridine 167.35
    dibutyl ether 191.29
    2,6-dimethyl-4-heptanol 136.18
    DEF 201.24
    dimethyl isosorbide 256.46
    tetrachloroethylene 192.31
    eugenol 112.34
    triacetin 125.92
    span 80 192.19
    1,4-butanediol 163.69
    1,1-dichloroethane 173.2
    2-methyl-1-pentanol 315.67
    methyl formate 104.45
    2-methyl-1-butanol 370.27
    n-decane 30.79
    butyronitrile 287.18
    3,7-dimethyl-1-octanol 167.57
    1-chlorooctane 82.55
    1-chlorotetradecane 32.77
    n-nonane 32.28
    undecane 22.07
    tert-butylcyclohexane 36.21
    cyclooctane 24.81
    cyclopentanol 300.73
    tetrahydropyran 450.33
    tert-amyl methyl ether 213.69
    2,5,8-trioxanonane 280.85
    1-hexene 205.04
    2-isopropoxyethanol 221.91
    2,2,2-trifluoroethanol 97.05
    methyl butyrate 179.73

    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
Fern, sweet 1 Comptonia peregrina (L.) Coulter, fam. Pteridophytae 0.36%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.05%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.02%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.01%
Chloranthus spicatus flower head space Chloranthus spicatus (Thunb.) Makino, fam. Chloranthaceae 0.13%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.09%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.3%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.05%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.05%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 1.4%