Pent-2-enoic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    27516-53-6

    Molecular formula
    C5H8O2

    SMILES
    CC/C=C/C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fruity 87.2%
    Cheesy 74.47%
    Sour 69.37%
    Caramellic 59.71%
    Fatty 57.25%
    Pungent 52.32%
    Sharp 51.05%
    Dairy 47.77%
    Sweaty 43.67%
    Buttery 42.86%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    203°C

    Flash point est.
    80.47 ˚C

    Solubility expt.

    • 62.9 mg/mL at 20 °C
    • Slightly soluble in water; soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Pentenoic acid
    • 13991-37-2
    • 2-PENTENOIC ACID
    • (E)-pent-2-enoic acid
    • (2E)-pent-2-enoic acid
    • 2-pentenoic acid, (2E)-
    • Pent-2-enoic acid
    • (2E)-2-Pentenoic acid
    • (E)-2-pentenoic acid
    • Pentenoic acid
    • 2-Pentenoic acid, (E)-
    • (E)-Pent-2-en-1-oic acid
    • beta-ethyl acrylic acid
    • C2H5CH=CHCOOH
    • Pent-2-ensaeure
    • EINECS 210-975-6
    • 626-98-2
    • NSC 26713
    • Propylidenessigsaeure
    • alpha-pentenoic acid
    • beta-Aethylacrylsaeure
    • alpha.beta-Pentensaeure
    • beta-Aethyl-acrylsaeure
    • 1RG66883CF
    • trans-pent-2-enoic acid
    • EINECS 237-791-9
    • alpha-Butylen-alpha-carbonsaeure
    • FEMA NO. 4193
    • CHEBI:35939
    • CHEBI:38366
    • 2-PENTENOIC ACID [FHFI]
    • DTXSID30893700
    • C5:1n-3
    • C5:1, n-3
    • 27516-53-6
    • (2Z)-2-pentenoic acid
    • (2E)-2-Pentenoic Acid; (E)-Pent-2-enoic Acid;
    • 2-Pentenoic acid, trans-
    • DTXSID40862321
    • UNII-1RG66883CF
    • Pent-2t-ensaeure
    • MFCD00002704
    • trans-2-pentenic acid
    • trans-Pent-2-ensaeure
    • (E)-2-pentenic acid
    • 2-PENTENOICACID
    • E-2-Pentencarbonsaeure
    • C5:1, n-3 trans
    • 5:1, n-3 trans
    • SCHEMBL31609
    • CHEMBL115668
    • trans-2-Pentenoic acid, 98%
    • trans-Alpha,beta-penteneoic acid
    • DTXCID10909136
    • DTXCID30811106
    • BBL027397
    • LMFA01030005
    • STL352113
    • AKOS000121221
    • FP34762
    • HY-W061674
    • AS-54322
    • 2-Pentenoic acid, predominantly trans, 98%
    • CS-0053528
    • NS00084960
    • P0345
    • EN300-21686
    • D72497
    • EN300-306813
    • P17755
    • Q27117596
    • Z2311573931
    • 210-975-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 259.4
    methanol 346.28
    isopropanol 220.69
    water 10.29
    ethyl acetate 78.36
    n-propanol 186.31
    acetone 191.05
    n-butanol 161.24
    acetonitrile 72.54
    DMF 893.21
    toluene 22.6
    isobutanol 141.49
    1,4-dioxane 170.21
    methyl acetate 92.41
    THF 432.57
    2-butanone 123.74
    n-pentanol 135.44
    sec-butanol 166.06
    n-hexane 16.16
    ethylene glycol 175.82
    NMP 444.74
    cyclohexane 6.6
    DMSO 629.46
    n-butyl acetate 76.8
    n-octanol 95.15
    chloroform 58.01
    n-propyl acetate 58.37
    acetic acid 155.88
    dichloromethane 58.37
    cyclohexanone 144.68
    propylene glycol 192.08
    isopropyl acetate 58.97
    DMAc 403.4
    2-ethoxyethanol 166.49
    isopentanol 133.16
    n-heptane 9.54
    ethyl formate 84.55
    1,2-dichloroethane 63.43
    n-hexanol 169.03
    2-methoxyethanol 312.53
    isobutyl acetate 41.97
    tetrachloromethane 13.45
    n-pentyl acetate 61.76
    transcutol 285.28
    n-heptanol 94.11
    ethylbenzene 25.79
    MIBK 86.62
    2-propoxyethanol 242.62
    tert-butanol 246.47
    MTBE 111.4
    2-butoxyethanol 140.7
    propionic acid 142.93
    o-xylene 30.3
    formic acid 114.29
    diethyl ether 66.67
    m-xylene 33.6
    p-xylene 29.43
    chlorobenzene 37.66
    dimethyl carbonate 56.77
    n-octane 6.18
    formamide 106.43
    cyclopentanone 256.67
    2-pentanone 115.98
    anisole 64.38
    cyclopentyl methyl ether 125.55
    gamma-butyrolactone 266.65
    1-methoxy-2-propanol 293.34
    pyridine 86.4
    3-pentanone 65.63
    furfural 200.72
    n-dodecane 6.79
    diethylene glycol 213.66
    diisopropyl ether 28.05
    tert-amyl alcohol 185.65
    acetylacetone 126.18
    n-hexadecane 7.35
    acetophenone 63.6
    methyl propionate 99.1
    isopentyl acetate 72.38
    trichloroethylene 96.8
    n-nonanol 80.75
    cyclohexanol 104.84
    benzyl alcohol 70.82
    2-ethylhexanol 81.52
    isooctanol 73.19
    dipropyl ether 52.29
    1,2-dichlorobenzene 41.95
    ethyl lactate 68.7
    propylene carbonate 133.19
    n-methylformamide 253.8
    2-pentanol 121.27
    n-pentane 9.86
    1-propoxy-2-propanol 173.12
    1-methoxy-2-propyl acetate 97.23
    2-(2-methoxypropoxy) propanol 138.22
    mesitylene 27.55
    ε-caprolactone 130.27
    p-cymene 24.56
    epichlorohydrin 199.47
    1,1,1-trichloroethane 47.61
    2-aminoethanol 236.6
    morpholine-4-carbaldehyde 305.32
    sulfolane 422.11
    2,2,4-trimethylpentane 9.2
    2-methyltetrahydrofuran 196.78
    n-hexyl acetate 97.2
    isooctane 9.95
    2-(2-butoxyethoxy)ethanol 177.97
    sec-butyl acetate 42.24
    tert-butyl acetate 83.39
    decalin 9.85
    glycerin 242.22
    diglyme 225.33
    acrylic acid 133.86
    isopropyl myristate 44.7
    n-butyric acid 147.46
    acetyl acetate 44.76
    di(2-ethylhexyl) phthalate 49.99
    ethyl propionate 61.08
    nitromethane 200.48
    1,2-diethoxyethane 76.37
    benzonitrile 63.59
    trioctyl phosphate 47.99
    1-bromopropane 41.63
    gamma-valerolactone 287.58
    n-decanol 64.84
    triethyl phosphate 35.37
    4-methyl-2-pentanol 79.48
    propionitrile 79.39
    vinylene carbonate 107.72
    1,1,2-trichlorotrifluoroethane 162.52
    DMS 65.24
    cumene 25.86
    2-octanol 68.42
    2-hexanone 79.78
    octyl acetate 61.88
    limonene 34.3
    1,2-dimethoxyethane 218.95
    ethyl orthosilicate 34.03
    tributyl phosphate 44.76
    diacetone alcohol 162.91
    N,N-dimethylaniline 62.28
    acrylonitrile 109.55
    aniline 52.35
    1,3-propanediol 214.12
    bromobenzene 29.33
    dibromomethane 43.05
    1,1,2,2-tetrachloroethane 95.33
    2-methyl-cyclohexyl acetate 54.05
    tetrabutyl urea 70.81
    diisobutyl methanol 50.16
    2-phenylethanol 84.53
    styrene 24.98
    dioctyl adipate 58.52
    dimethyl sulfate 129.98
    ethyl butyrate 53.47
    methyl lactate 116.12
    butyl lactate 75.77
    diethyl carbonate 35.25
    propanediol butyl ether 161.86
    triethyl orthoformate 41.99
    p-tert-butyltoluene 26.6
    methyl 4-tert-butylbenzoate 95.94
    morpholine 214.69
    tert-butylamine 131.93
    n-dodecanol 50.98
    dimethoxymethane 246.01
    ethylene carbonate 82.61
    cyrene 114.13
    2-ethoxyethyl acetate 71.75
    2-ethylhexyl acetate 50.63
    1,2,4-trichlorobenzene 51.44
    4-methylpyridine 99.22
    dibutyl ether 48.5
    2,6-dimethyl-4-heptanol 50.16
    DEF 160.78
    dimethyl isosorbide 175.78
    tetrachloroethylene 59.56
    eugenol 118.18
    triacetin 72.15
    span 80 133.29
    1,4-butanediol 122.94
    1,1-dichloroethane 57.37
    2-methyl-1-pentanol 106.29
    methyl formate 171.5
    2-methyl-1-butanol 122.4
    n-decane 9.56
    butyronitrile 88.97
    3,7-dimethyl-1-octanol 77.45
    1-chlorooctane 38.14
    1-chlorotetradecane 18.42
    n-nonane 9.12
    undecane 7.96
    tert-butylcyclohexane 12.76
    cyclooctane 3.99
    cyclopentanol 175.1
    tetrahydropyran 124.34
    tert-amyl methyl ether 85.35
    2,5,8-trioxanonane 196.45
    1-hexene 46.94
    2-isopropoxyethanol 117.9
    2,2,2-trifluoroethanol 59.16
    methyl butyrate 90.2

    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
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.81%