2-Octen-1-yl butyrate, (2E)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    84642-60-4

    Molecular formula
    C12H22O2

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

  • Odor profile

    Fruity 88.46%
    Green 72.89%
    Waxy 69.02%
    Fatty 63.62%
    Pear 61.31%
    Tropical 53.78%
    Apple 51.8%
    Pineapple 51.03%
    Melon 45.71%
    Winey 43.23%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point est.
    106.82 ˚C

    Solubility expt.

    • Soluble in fats; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • (E)-Oct-2-enyl butyrate
    • 84642-60-4
    • [(E)-oct-2-enyl] butanoate
    • FEMA No. 3517
    • trans-2-Octen-1-yl butanoate
    • (E)-2-Octenyl butyrate
    • 2-Octen-1-yl butyrate, (2E)-
    • KQY9P705GY
    • 2-Octenyl butanoate, (E)-
    • Butanoic acid, 2-octenyl ester, (E)-
    • 2-Octen-1-yl butyrate, trans-
    • UNII-KQY9P705GY
    • EINECS 283-437-1
    • (E)-2-octen-1-yl butyrate
    • FEMA 3517
    • Butanoic acid, (2E)-2-octenyl ester
    • DTXSID901020149
    • 2-OCTEN-1-YL BUTYRATE, (E)-
    • WE(8:1(2E)/4:0)
    • TRANS-2-OCTEN-1-YL BUTANOATE [FHFI]
    • BUTANOIC ACID, (2E)-2-OCTEN-1-YL ESTER
    • trans-2-Octen-1-yl butyrate
    • Butanoic acid,(2E)-2-octen-1-yl ester
    • SCHEMBL808488
    • SCHEMBL808490
    • (2E)-2-octen-1-yl butyrate
    • (E)-Oct-2-en-1-yl butyrate
    • (2E)-2-Octen-1-yl butanoate
    • DTXCID80910658
    • CHEBI:179191
    • GPINUUWEKPNDBB-CMDGGOBGSA-N
    • LMFA07010603
    • AKOS006294202
    • NS00061295
    • Q27282383
    • 283-437-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7848.7
    methanol 8195.61
    isopropanol 6729.13
    water 0.11
    ethyl acetate 7107.28
    n-propanol 6127.5
    acetone 12864.5
    n-butanol 5600.08
    acetonitrile 6796.88
    DMF 7322.7
    toluene 2527.45
    isobutanol 4948.6
    1,4-dioxane 6235.12
    methyl acetate 4549.87
    THF 8976.0
    2-butanone 7645.0
    n-pentanol 3869.86
    sec-butanol 5991.78
    n-hexane 1989.77
    ethylene glycol 410.05
    NMP 4727.85
    cyclohexane 2288.0
    DMSO 8669.66
    n-butyl acetate 5061.63
    n-octanol 1272.23
    chloroform 9662.77
    n-propyl acetate 4342.02
    acetic acid 4307.52
    dichloromethane 10176.13
    cyclohexanone 9345.54
    propylene glycol 927.67
    isopropyl acetate 3983.15
    DMAc 3935.53
    2-ethoxyethanol 3018.78
    isopentanol 4772.15
    n-heptane 518.06
    ethyl formate 2792.29
    1,2-dichloroethane 8065.03
    n-hexanol 3319.19
    2-methoxyethanol 4956.03
    isobutyl acetate 2165.89
    tetrachloromethane 1469.54
    n-pentyl acetate 2518.44
    transcutol 9706.65
    n-heptanol 1111.97
    ethylbenzene 1368.17
    MIBK 3163.13
    2-propoxyethanol 3477.89
    tert-butanol 6841.45
    MTBE 7612.57
    2-butoxyethanol 1733.21
    propionic acid 3192.03
    o-xylene 1229.92
    formic acid 640.79
    diethyl ether 8772.75
    m-xylene 1438.37
    p-xylene 1631.82
    chlorobenzene 3080.99
    dimethyl carbonate 929.41
    n-octane 188.18
    formamide 1170.63
    cyclopentanone 7379.14
    2-pentanone 7394.85
    anisole 2077.17
    cyclopentyl methyl ether 5628.07
    gamma-butyrolactone 6144.24
    1-methoxy-2-propanol 3930.35
    pyridine 6561.03
    3-pentanone 4240.01
    furfural 3734.14
    n-dodecane 111.35
    diethylene glycol 1643.22
    diisopropyl ether 2003.37
    tert-amyl alcohol 5619.46
    acetylacetone 4762.61
    n-hexadecane 135.11
    acetophenone 1835.54
    methyl propionate 3907.77
    isopentyl acetate 3739.52
    trichloroethylene 11128.16
    n-nonanol 1046.07
    cyclohexanol 5432.06
    benzyl alcohol 1614.65
    2-ethylhexanol 1950.54
    isooctanol 953.78
    dipropyl ether 2847.53
    1,2-dichlorobenzene 2368.92
    ethyl lactate 977.73
    propylene carbonate 3075.47
    n-methylformamide 3200.47
    2-pentanol 4546.57
    n-pentane 1177.64
    1-propoxy-2-propanol 2926.5
    1-methoxy-2-propyl acetate 2702.54
    2-(2-methoxypropoxy) propanol 1492.31
    mesitylene 883.4
    ε-caprolactone 5947.61
    p-cymene 632.95
    epichlorohydrin 7395.63
    1,1,1-trichloroethane 6648.86
    2-aminoethanol 1480.28
    morpholine-4-carbaldehyde 3742.59
    sulfolane 6455.91
    2,2,4-trimethylpentane 386.24
    2-methyltetrahydrofuran 9070.66
    n-hexyl acetate 3097.41
    isooctane 313.5
    2-(2-butoxyethoxy)ethanol 2295.61
    sec-butyl acetate 2619.47
    tert-butyl acetate 3417.06
    decalin 656.4
    glycerin 884.22
    diglyme 3920.13
    acrylic acid 2028.62
    isopropyl myristate 935.29
    n-butyric acid 6175.05
    acetyl acetate 2662.02
    di(2-ethylhexyl) phthalate 687.12
    ethyl propionate 3195.33
    nitromethane 6504.75
    1,2-diethoxyethane 4389.53
    benzonitrile 2632.16
    trioctyl phosphate 522.1
    1-bromopropane 6683.99
    gamma-valerolactone 6910.4
    n-decanol 689.32
    triethyl phosphate 769.66
    4-methyl-2-pentanol 1817.07
    propionitrile 4679.82
    vinylene carbonate 2482.78
    1,1,2-trichlorotrifluoroethane 3900.59
    DMS 1611.73
    cumene 748.11
    2-octanol 954.15
    2-hexanone 4651.82
    octyl acetate 1163.92
    limonene 1272.58
    1,2-dimethoxyethane 5518.14
    ethyl orthosilicate 793.75
    tributyl phosphate 770.06
    diacetone alcohol 2851.28
    N,N-dimethylaniline 1246.55
    acrylonitrile 4544.93
    aniline 2839.67
    1,3-propanediol 2440.95
    bromobenzene 3590.53
    dibromomethane 7959.83
    1,1,2,2-tetrachloroethane 8899.25
    2-methyl-cyclohexyl acetate 1562.17
    tetrabutyl urea 993.17
    diisobutyl methanol 955.63
    2-phenylethanol 1553.66
    styrene 2036.12
    dioctyl adipate 1225.55
    dimethyl sulfate 1313.0
    ethyl butyrate 2670.16
    methyl lactate 1140.68
    butyl lactate 1476.36
    diethyl carbonate 1348.17
    propanediol butyl ether 1669.93
    triethyl orthoformate 1382.4
    p-tert-butyltoluene 589.14
    methyl 4-tert-butylbenzoate 1231.47
    morpholine 9149.49
    tert-butylamine 4887.31
    n-dodecanol 497.58
    dimethoxymethane 3909.34
    ethylene carbonate 2303.83
    cyrene 1078.79
    2-ethoxyethyl acetate 2543.73
    2-ethylhexyl acetate 2766.53
    1,2,4-trichlorobenzene 2554.29
    4-methylpyridine 6470.63
    dibutyl ether 2840.55
    2,6-dimethyl-4-heptanol 955.63
    DEF 6101.02
    dimethyl isosorbide 2216.23
    tetrachloroethylene 5388.02
    eugenol 1198.19
    triacetin 1892.79
    span 80 1553.08
    1,4-butanediol 949.04
    1,1-dichloroethane 8449.27
    2-methyl-1-pentanol 3250.18
    methyl formate 1803.29
    2-methyl-1-butanol 4566.07
    n-decane 230.39
    butyronitrile 6361.72
    3,7-dimethyl-1-octanol 1318.33
    1-chlorooctane 1144.13
    1-chlorotetradecane 346.51
    n-nonane 257.42
    undecane 154.11
    tert-butylcyclohexane 545.23
    cyclooctane 486.3
    cyclopentanol 4345.84
    tetrahydropyran 11731.13
    tert-amyl methyl ether 4257.75
    2,5,8-trioxanonane 2377.43
    1-hexene 5388.96
    2-isopropoxyethanol 2319.05
    2,2,2-trifluoroethanol 769.64
    methyl butyrate 4847.75

    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
Parsnip (Germany) 2d green fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 2.41%
Parsnip (Germany) 3a wild fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 0.95%
Parsnip (Germany) 3b cultivated fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 2.2%
Parsnip (Germany) 3c botanic garden fruit 90082-39-6 Pastinava sativa L., fam. Apiaceae (Umbelliferae) 1.9%