trans-2-Octenoic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1871-67-6

    Molecular formula
    C8H14O2

    SMILES
    CCCCC/C=C/C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Retention indicies (RI)

    • Carbowax: 2181.0

  • Odor profile

    Fatty 92.0%
    Fruity 77.72%
    Green 74.54%
    Waxy 71.11%
    Dairy 68.69%
    Cheesy 65.31%
    Oily 55.23%
    Milky 48.47%
    Creamy 47.3%
    Sour 47.02%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 5 - 6 °C

    Boiling point

    • 139.00 to 141.00 °C. @ 13.00 mm Hg

    Flash point est.
    112.12 ˚C

    Solubility expt.

    • slightly
    • Insoluble in water; soluble in oils
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Octenoic acid
    • 1871-67-6
    • 2-Octenoic acid
    • (E)-oct-2-enoic acid
    • 2-Octenoic acid, (2E)-
    • (E)-2-Octenoic acid
    • (2E)-2-Octenoic acid
    • 2-Octenoic acid, (E)-
    • 2E-octenoic acid
    • trans-alpha-octenoic acid
    • (2E)-oct-2-enoic acid
    • Oct-2-enoic acid
    • 1470-50-4
    • Oct-2-enoic acid (E)
    • trans-2-Octenoate
    • UNII-C0057TJ59E
    • (E)-2-Octenoate
    • C0057TJ59E
    • C8:1n-6
    • EINECS 217-491-4
    • 2-Octenoic acid, trans-
    • (E)-Oct-2-enoate
    • FEMA NO. 3957
    • CHEBI:86544
    • DTXSID50904721
    • (E)-2-OCTENOIC ACID [FHFI]
    • MFCD00002706
    • 2-Octenoate
    • EINECS 216-001-6
    • NSC 66570
    • trans-a-Octenoate
    • trans-alpha-Octenoate
    • trans-a-Octenoic acid
    • starbld0000560
    • 2-Octenoic acid, 85%
    • bmse000616
    • (2E)-2-Octenoic acid #
    • SCHEMBL192604
    • CHEMBL4277871
    • DTXCID80909183
    • LMFA01030018
    • s6162
    • AKOS006223032
    • HY-W046906
    • 2-Octenoic acid, technical grade, 85%
    • BS-23869
    • FO173031
    • DB-257137
    • CS-0098436
    • O0004
    • D91783
    • EN300-805053
    • Q27159230
    • 217-491-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1232.12
    methanol 1849.65
    isopropanol 636.21
    water 0.66
    ethyl acetate 578.24
    n-propanol 784.63
    acetone 1076.48
    n-butanol 664.61
    acetonitrile 185.22
    DMF 2123.8
    toluene 95.19
    isobutanol 569.45
    1,4-dioxane 381.08
    methyl acetate 329.75
    THF 1780.42
    2-butanone 658.36
    n-pentanol 536.35
    sec-butanol 495.16
    n-hexane 86.31
    ethylene glycol 356.98
    NMP 1914.66
    cyclohexane 28.27
    DMSO 3401.82
    n-butyl acetate 612.53
    n-octanol 187.82
    chloroform 182.15
    n-propyl acetate 431.8
    acetic acid 852.13
    dichloromethane 202.19
    cyclohexanone 1030.67
    propylene glycol 512.36
    isopropyl acetate 435.14
    DMAc 1002.89
    2-ethoxyethanol 726.57
    isopentanol 666.93
    n-heptane 28.01
    ethyl formate 271.9
    1,2-dichloroethane 313.49
    n-hexanol 673.96
    2-methoxyethanol 1452.23
    isobutyl acetate 276.33
    tetrachloromethane 50.32
    n-pentyl acetate 258.39
    transcutol 2256.83
    n-heptanol 219.75
    ethylbenzene 84.48
    MIBK 529.53
    2-propoxyethanol 1029.46
    tert-butanol 1009.01
    MTBE 545.88
    2-butoxyethanol 446.83
    propionic acid 607.95
    o-xylene 100.07
    formic acid 364.52
    diethyl ether 267.65
    m-xylene 141.18
    p-xylene 102.69
    chlorobenzene 143.04
    dimethyl carbonate 193.52
    n-octane 10.08
    formamide 544.55
    cyclopentanone 1758.25
    2-pentanone 806.67
    anisole 228.43
    cyclopentyl methyl ether 974.5
    gamma-butyrolactone 1518.91
    1-methoxy-2-propanol 1249.57
    pyridine 317.06
    3-pentanone 381.83
    furfural 749.86
    n-dodecane 7.71
    diethylene glycol 737.09
    diisopropyl ether 156.46
    tert-amyl alcohol 801.35
    acetylacetone 796.4
    n-hexadecane 8.82
    acetophenone 253.47
    methyl propionate 543.61
    isopentyl acetate 581.11
    trichloroethylene 531.26
    n-nonanol 157.1
    cyclohexanol 543.76
    benzyl alcohol 243.17
    2-ethylhexanol 337.52
    isooctanol 182.53
    dipropyl ether 248.91
    1,2-dichlorobenzene 158.51
    ethyl lactate 217.12
    propylene carbonate 599.97
    n-methylformamide 955.57
    2-pentanol 448.53
    n-pentane 32.09
    1-propoxy-2-propanol 787.3
    1-methoxy-2-propyl acetate 608.77
    2-(2-methoxypropoxy) propanol 420.66
    mesitylene 108.6
    ε-caprolactone 797.15
    p-cymene 66.91
    epichlorohydrin 1107.89
    1,1,1-trichloroethane 221.7
    2-aminoethanol 777.18
    morpholine-4-carbaldehyde 1023.19
    sulfolane 2421.9
    2,2,4-trimethylpentane 32.79
    2-methyltetrahydrofuran 1231.65
    n-hexyl acetate 386.89
    isooctane 34.98
    2-(2-butoxyethoxy)ethanol 672.21
    sec-butyl acetate 291.99
    tert-butyl acetate 652.36
    decalin 36.09
    glycerin 640.15
    diglyme 904.19
    acrylic acid 462.18
    isopropyl myristate 122.21
    n-butyric acid 892.62
    acetyl acetate 240.64
    di(2-ethylhexyl) phthalate 140.79
    ethyl propionate 360.27
    nitromethane 964.21
    1,2-diethoxyethane 444.9
    benzonitrile 213.38
    trioctyl phosphate 113.15
    1-bromopropane 148.06
    gamma-valerolactone 1467.19
    n-decanol 115.73
    triethyl phosphate 117.93
    4-methyl-2-pentanol 313.85
    propionitrile 236.64
    vinylene carbonate 354.35
    1,1,2-trichlorotrifluoroethane 780.34
    DMS 249.17
    cumene 78.94
    2-octanol 143.51
    2-hexanone 548.51
    octyl acetate 172.84
    limonene 127.07
    1,2-dimethoxyethane 822.42
    ethyl orthosilicate 125.81
    tributyl phosphate 148.69
    diacetone alcohol 965.72
    N,N-dimethylaniline 193.52
    acrylonitrile 319.11
    aniline 249.75
    1,3-propanediol 812.77
    bromobenzene 129.09
    dibromomethane 147.75
    1,1,2,2-tetrachloroethane 487.31
    2-methyl-cyclohexyl acetate 257.68
    tetrabutyl urea 203.12
    diisobutyl methanol 182.82
    2-phenylethanol 297.04
    styrene 89.71
    dioctyl adipate 203.6
    dimethyl sulfate 425.47
    ethyl butyrate 309.41
    methyl lactate 369.74
    butyl lactate 297.57
    diethyl carbonate 151.08
    propanediol butyl ether 546.81
    triethyl orthoformate 198.1
    p-tert-butyltoluene 77.02
    methyl 4-tert-butylbenzoate 250.0
    morpholine 813.05
    tert-butylamine 533.91
    n-dodecanol 83.58
    dimethoxymethane 839.76
    ethylene carbonate 310.44
    cyrene 368.19
    2-ethoxyethyl acetate 362.47
    2-ethylhexyl acetate 392.5
    1,2,4-trichlorobenzene 206.54
    4-methylpyridine 407.93
    dibutyl ether 178.01
    2,6-dimethyl-4-heptanol 182.82
    DEF 839.83
    dimethyl isosorbide 693.04
    tetrachloroethylene 332.27
    eugenol 284.7
    triacetin 287.91
    span 80 404.57
    1,4-butanediol 344.36
    1,1-dichloroethane 210.09
    2-methyl-1-pentanol 503.78
    methyl formate 439.42
    2-methyl-1-butanol 591.02
    n-decane 12.43
    butyronitrile 315.08
    3,7-dimethyl-1-octanol 219.99
    1-chlorooctane 74.72
    1-chlorotetradecane 27.78
    n-nonane 12.23
    undecane 9.55
    tert-butylcyclohexane 49.88
    cyclooctane 14.06
    cyclopentanol 834.42
    tetrahydropyran 506.33
    tert-amyl methyl ether 449.17
    2,5,8-trioxanonane 619.85
    1-hexene 248.99
    2-isopropoxyethanol 534.83
    2,2,2-trifluoroethanol 181.1
    methyl butyrate 501.39

    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
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.12%
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.01%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 1.7%