E-2-Hexenyl benzoate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C13H16O2

    SMILES
    CCC/C=C/COC(=O)C1=CC=CC=C1

    Retention indicies (RI)

    • Carbowax: 2170.0

  • Odor profile

    Green 90.28%
    Balsamic 73.32%
    Herbal 64.45%
    Floral 59.7%
    Woody 53.51%
    Fresh 48.9%
    Leafy 43.68%
    Fruity 41.7%
    Sweet 39.78%
    Oily 39.0%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    204.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    282°C

    Flash point est.
    133.54 ˚C

  • Synonyms

    • E-2-Hexenyl benzoate
    • (e)-2-hexenyl benzoate
    • (2E)-2-Hexenyl benzoate
    • (E)-2-Hexen-1-yl-benzoate
    • (E)-2-Hexen-1-ol, benzoate
    • 2-Hexen-1-ol, benzoate, trans
    • IRWNFSMZBFIURE-XBXARRHUSA-N
    • (2E)-HEX-2-EN-1-YL BENZOATE
    • Q67880210

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2414.18
    methanol 2778.88
    isopropanol 1242.84
    water 0.13
    ethyl acetate 3457.77
    n-propanol 1704.24
    acetone 4322.22
    n-butanol 1592.65
    acetonitrile 3420.47
    DMF 5194.25
    toluene 1691.75
    isobutanol 1257.56
    1,4-dioxane 2024.19
    methyl acetate 2478.34
    THF 2500.78
    2-butanone 3259.08
    n-pentanol 902.92
    sec-butanol 1349.7
    n-hexane 160.52
    ethylene glycol 166.64
    NMP 2864.0
    cyclohexane 279.22
    DMSO 3905.01
    n-butyl acetate 1696.04
    n-octanol 308.59
    chloroform 5503.33
    n-propyl acetate 1580.59
    acetic acid 1417.22
    dichloromethane 7211.48
    cyclohexanone 3445.62
    propylene glycol 305.25
    isopropyl acetate 1502.21
    DMAc 2968.87
    2-ethoxyethanol 1100.74
    isopentanol 1272.05
    n-heptane 56.54
    ethyl formate 1189.18
    1,2-dichloroethane 6207.71
    n-hexanol 859.91
    2-methoxyethanol 2115.82
    isobutyl acetate 795.27
    tetrachloromethane 367.53
    n-pentyl acetate 745.82
    transcutol 4838.1
    n-heptanol 296.68
    ethylbenzene 586.58
    MIBK 1197.36
    2-propoxyethanol 1275.24
    tert-butanol 1228.8
    MTBE 1694.37
    2-butoxyethanol 611.41
    propionic acid 1148.5
    o-xylene 607.32
    formic acid 311.06
    diethyl ether 2920.83
    m-xylene 719.41
    p-xylene 617.18
    chlorobenzene 2155.51
    dimethyl carbonate 838.66
    n-octane 30.74
    formamide 884.39
    cyclopentanone 3344.58
    2-pentanone 2835.17
    anisole 1282.96
    cyclopentyl methyl ether 1724.18
    gamma-butyrolactone 3098.77
    1-methoxy-2-propanol 1520.74
    pyridine 3512.77
    3-pentanone 2063.91
    furfural 2154.19
    n-dodecane 27.42
    diethylene glycol 691.36
    diisopropyl ether 531.8
    tert-amyl alcohol 1173.31
    acetylacetone 2258.57
    n-hexadecane 33.03
    acetophenone 1125.13
    methyl propionate 2479.67
    isopentyl acetate 1267.28
    trichloroethylene 8863.5
    n-nonanol 279.89
    cyclohexanol 1240.04
    benzyl alcohol 837.12
    2-ethylhexanol 466.71
    isooctanol 262.73
    dipropyl ether 625.89
    1,2-dichlorobenzene 1599.97
    ethyl lactate 434.61
    propylene carbonate 1529.32
    n-methylformamide 2017.66
    2-pentanol 1090.83
    n-pentane 139.73
    1-propoxy-2-propanol 843.06
    1-methoxy-2-propyl acetate 1068.27
    2-(2-methoxypropoxy) propanol 611.57
    mesitylene 353.34
    ε-caprolactone 2338.8
    p-cymene 213.96
    epichlorohydrin 4591.52
    1,1,1-trichloroethane 3233.07
    2-aminoethanol 558.71
    morpholine-4-carbaldehyde 1998.6
    sulfolane 2991.64
    2,2,4-trimethylpentane 72.97
    2-methyltetrahydrofuran 2232.74
    n-hexyl acetate 987.91
    isooctane 66.11
    2-(2-butoxyethoxy)ethanol 989.95
    sec-butyl acetate 942.09
    tert-butyl acetate 1239.88
    decalin 122.3
    glycerin 343.86
    diglyme 1846.35
    acrylic acid 960.55
    isopropyl myristate 306.97
    n-butyric acid 1974.42
    acetyl acetate 1316.75
    di(2-ethylhexyl) phthalate 242.99
    ethyl propionate 1292.72
    nitromethane 3651.78
    1,2-diethoxyethane 1660.08
    benzonitrile 1443.86
    trioctyl phosphate 182.49
    1-bromopropane 3213.83
    gamma-valerolactone 2997.82
    n-decanol 200.6
    triethyl phosphate 301.14
    4-methyl-2-pentanol 475.79
    propionitrile 2221.48
    vinylene carbonate 1393.59
    1,1,2-trichlorotrifluoroethane 1885.75
    DMS 918.34
    cumene 300.44
    2-octanol 232.03
    2-hexanone 1525.15
    octyl acetate 392.96
    limonene 346.16
    1,2-dimethoxyethane 1922.98
    ethyl orthosilicate 285.44
    tributyl phosphate 262.67
    diacetone alcohol 1093.2
    N,N-dimethylaniline 611.18
    acrylonitrile 2975.55
    aniline 1555.3
    1,3-propanediol 863.12
    bromobenzene 2502.03
    dibromomethane 4545.37
    1,1,2,2-tetrachloroethane 6351.0
    2-methyl-cyclohexyl acetate 531.22
    tetrabutyl urea 362.75
    diisobutyl methanol 246.98
    2-phenylethanol 704.23
    styrene 1027.61
    dioctyl adipate 421.25
    dimethyl sulfate 1112.85
    ethyl butyrate 919.34
    methyl lactate 630.01
    butyl lactate 489.77
    diethyl carbonate 568.04
    propanediol butyl ether 568.55
    triethyl orthoformate 456.32
    p-tert-butyltoluene 193.16
    methyl 4-tert-butylbenzoate 525.61
    morpholine 3010.54
    tert-butylamine 765.83
    n-dodecanol 147.12
    dimethoxymethane 2539.72
    ethylene carbonate 1166.02
    cyrene 500.61
    2-ethoxyethyl acetate 1089.98
    2-ethylhexyl acetate 917.89
    1,2,4-trichlorobenzene 1696.32
    4-methylpyridine 3528.44
    dibutyl ether 650.99
    2,6-dimethyl-4-heptanol 246.98
    DEF 3104.26
    dimethyl isosorbide 964.48
    tetrachloroethylene 3107.58
    eugenol 574.57
    triacetin 705.25
    span 80 484.36
    1,4-butanediol 281.85
    1,1-dichloroethane 5124.42
    2-methyl-1-pentanol 836.07
    methyl formate 1237.57
    2-methyl-1-butanol 1337.38
    n-decane 45.04
    butyronitrile 2274.78
    3,7-dimethyl-1-octanol 356.94
    1-chlorooctane 306.62
    1-chlorotetradecane 104.83
    n-nonane 43.14
    undecane 33.82
    tert-butylcyclohexane 98.87
    cyclooctane 68.69
    cyclopentanol 934.82
    tetrahydropyran 2975.96
    tert-amyl methyl ether 1139.88
    2,5,8-trioxanonane 1100.73
    1-hexene 842.31
    2-isopropoxyethanol 777.75
    2,2,2-trifluoroethanol 348.2
    methyl butyrate 1891.42

    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
Sideritis condensata Sideritis condensata Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.5%