1-Penten-3-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1629-58-9

    Molecular formula
    C5H8O

    SMILES
    CCC(=O)C=C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 680.0
    • Carbowax: 1030.0

  • Odor profile

    Pungent 70.87%
    Ethereal 48.61%
    Radish 48.48%
    Alliaceous 48.34%
    Spicy 41.36%
    Green 41.03%
    Metallic 40.75%
    Burnt 40.72%
    Sharp 39.89%
    Garlic 37.31%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    84.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 38.00 °C. @ 60.00 mm Hg

    Flash point est.
    4.01 ˚C

    Solubility expt.

    • insoluble in water; soluble in most organic solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • ETHYL VINYL KETONE
    • 1-Penten-3-one
    • 1629-58-9
    • Pent-1-en-3-one
    • 1-Pentene-3-one
    • ethylvinylketone
    • Ethylvinyl ketone
    • pentenone
    • Ketone, ethyl vinyl
    • Vinyl ethyl ketone
    • penten-3-one
    • FEMA No. 3382
    • CCRIS 4223
    • propionylethylene
    • C2H5COCH=CH2
    • EINECS 216-624-3
    • NSC 81211
    • UNII-R0053Y1AZ7
    • BRN 1735857
    • DTXSID5025318
    • CHEBI:89945
    • NSC-81211
    • DTXCID605318
    • FEMA 3382
    • 1-PENTEN-3-ONE [FHFI]
    • R0053Y1AZ7
    • 4-01-00-03457 (Beilstein Handbook Reference)
    • 1-Penten-3-one (contains 0.1% BHT stabiliser)
    • 4-penten-3-one
    • MFCD00009316
    • methylbutenone
    • 1-Penten-3-one; 4-Penten-3-one; Ethyl vinyl ketone; NSC 81211
    • WLN: 2V1U1
    • CHEMBL1506228
    • NSC81211
    • Tox21_200636
    • LMFA12000069
    • 1-Penten-3-one (ethyl vinyl ketone)
    • AKOS009158145
    • NCGC00090734-01
    • NCGC00090734-02
    • NCGC00258190-01
    • CAS-1629-58-9
    • DB-008948
    • NS00021723
    • EN300-60334
    • Ethyl vinyl ketone, >=97%, stabilized, FG
    • Q161669
    • Pent-1-en-3-one (contains 0.1% BHT stabiliser)
    • Ethyl vinyl ketone, >=97%, stabilized with BHT, FG
    • 1-Penten-3-one, contains 0.1% BHT as stabilizer, 97%
    • 1-Penten-3-one, contains ~0.1% BHT as stabilizer, analytical standard
    • 216-624-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 548.66
    methanol 884.46
    isopropanol 346.64
    water 9.35
    ethyl acetate 382.24
    n-propanol 387.75
    acetone 410.23
    n-butanol 384.83
    acetonitrile 550.85
    DMF 486.57
    toluene 166.64
    isobutanol 294.58
    1,4-dioxane 549.99
    methyl acetate 401.0
    THF 662.73
    2-butanone 411.52
    n-pentanol 374.99
    sec-butanol 335.51
    n-hexane 141.11
    ethylene glycol 101.11
    NMP 567.82
    cyclohexane 89.69
    DMSO 481.63
    n-butyl acetate 410.7
    n-octanol 208.42
    chloroform 915.68
    n-propyl acetate 344.7
    acetic acid 588.06
    dichloromethane 998.11
    cyclohexanone 502.7
    propylene glycol 91.76
    isopropyl acetate 225.8
    DMAc 475.5
    2-ethoxyethanol 427.82
    isopentanol 346.73
    n-heptane 72.73
    ethyl formate 311.18
    1,2-dichloroethane 505.26
    n-hexanol 312.14
    2-methoxyethanol 490.8
    isobutyl acetate 192.03
    tetrachloromethane 264.63
    n-pentyl acetate 280.99
    transcutol 1469.68
    n-heptanol 158.77
    ethylbenzene 146.99
    MIBK 218.77
    2-propoxyethanol 402.45
    tert-butanol 393.15
    MTBE 374.62
    2-butoxyethanol 271.83
    propionic acid 380.66
    o-xylene 147.83
    formic acid 266.31
    diethyl ether 383.19
    m-xylene 127.5
    p-xylene 212.99
    chlorobenzene 320.66
    dimethyl carbonate 96.63
    n-octane 38.13
    formamide 336.39
    cyclopentanone 535.05
    2-pentanone 332.08
    anisole 305.05
    cyclopentyl methyl ether 313.12
    gamma-butyrolactone 609.57
    1-methoxy-2-propanol 305.0
    pyridine 476.3
    3-pentanone 269.29
    furfural 619.99
    n-dodecane 26.06
    diethylene glycol 263.83
    diisopropyl ether 126.17
    tert-amyl alcohol 408.3
    acetylacetone 302.23
    n-hexadecane 28.58
    acetophenone 290.24
    methyl propionate 259.45
    isopentyl acetate 336.88
    trichloroethylene 910.16
    n-nonanol 178.72
    cyclohexanol 288.31
    benzyl alcohol 258.49
    2-ethylhexanol 218.79
    isooctanol 140.15
    dipropyl ether 221.6
    1,2-dichlorobenzene 319.38
    ethyl lactate 121.85
    propylene carbonate 350.88
    n-methylformamide 355.85
    2-pentanol 263.41
    n-pentane 92.06
    1-propoxy-2-propanol 290.71
    1-methoxy-2-propyl acetate 262.76
    2-(2-methoxypropoxy) propanol 293.44
    mesitylene 94.9
    ε-caprolactone 505.22
    p-cymene 112.11
    epichlorohydrin 664.09
    1,1,1-trichloroethane 503.33
    2-aminoethanol 210.69
    morpholine-4-carbaldehyde 574.89
    sulfolane 579.45
    2,2,4-trimethylpentane 65.46
    2-methyltetrahydrofuran 582.39
    n-hexyl acetate 364.16
    isooctane 39.39
    2-(2-butoxyethoxy)ethanol 410.28
    sec-butyl acetate 216.97
    tert-butyl acetate 241.1
    decalin 67.82
    glycerin 122.81
    diglyme 690.61
    acrylic acid 310.56
    isopropyl myristate 135.67
    n-butyric acid 493.22
    acetyl acetate 246.69
    di(2-ethylhexyl) phthalate 137.87
    ethyl propionate 263.56
    nitromethane 688.75
    1,2-diethoxyethane 590.18
    benzonitrile 426.72
    trioctyl phosphate 97.74
    1-bromopropane 401.66
    gamma-valerolactone 635.05
    n-decanol 125.61
    triethyl phosphate 132.95
    4-methyl-2-pentanol 159.72
    propionitrile 423.28
    vinylene carbonate 333.48
    1,1,2-trichlorotrifluoroethane 378.62
    DMS 257.9
    cumene 127.01
    2-octanol 133.46
    2-hexanone 360.87
    octyl acetate 171.57
    limonene 164.94
    1,2-dimethoxyethane 642.88
    ethyl orthosilicate 139.45
    tributyl phosphate 149.68
    diacetone alcohol 241.97
    N,N-dimethylaniline 210.15
    acrylonitrile 502.66
    aniline 236.27
    1,3-propanediol 292.15
    bromobenzene 309.6
    dibromomethane 683.06
    1,1,2,2-tetrachloroethane 591.19
    2-methyl-cyclohexyl acetate 222.22
    tetrabutyl urea 170.59
    diisobutyl methanol 122.04
    2-phenylethanol 249.54
    styrene 197.95
    dioctyl adipate 192.36
    dimethyl sulfate 145.37
    ethyl butyrate 293.52
    methyl lactate 113.56
    butyl lactate 190.55
    diethyl carbonate 195.79
    propanediol butyl ether 225.4
    triethyl orthoformate 193.56
    p-tert-butyltoluene 97.26
    methyl 4-tert-butylbenzoate 213.67
    morpholine 564.98
    tert-butylamine 303.74
    n-dodecanol 92.49
    dimethoxymethane 285.84
    ethylene carbonate 266.17
    cyrene 222.15
    2-ethoxyethyl acetate 362.52
    2-ethylhexyl acetate 284.59
    1,2,4-trichlorobenzene 345.14
    4-methylpyridine 512.26
    dibutyl ether 295.02
    2,6-dimethyl-4-heptanol 122.04
    DEF 412.83
    dimethyl isosorbide 457.97
    tetrachloroethylene 521.7
    eugenol 242.34
    triacetin 297.07
    span 80 244.79
    1,4-butanediol 168.83
    1,1-dichloroethane 527.92
    2-methyl-1-pentanol 364.23
    methyl formate 246.75
    2-methyl-1-butanol 345.15
    n-decane 44.28
    butyronitrile 450.78
    3,7-dimethyl-1-octanol 209.65
    1-chlorooctane 147.76
    1-chlorotetradecane 58.3
    n-nonane 47.39
    undecane 32.44
    tert-butylcyclohexane 75.02
    cyclooctane 35.15
    cyclopentanol 306.0
    tetrahydropyran 471.54
    tert-amyl methyl ether 323.5
    2,5,8-trioxanonane 473.2
    1-hexene 293.63
    2-isopropoxyethanol 301.38
    2,2,2-trifluoroethanol 193.51
    methyl butyrate 373.47

    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
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.06%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.01%