3-Methyl-2-hexen-1-yl 2-hydroxybenzoate

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  • Identifiers

    CAS number
    610271-60-8

    Molecular formula
    C14H18O3

    SMILES
    CCCC(=CCOC(=O)C1=CC=CC=C1O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 87.91%
    Green 72.89%
    Sweet 67.65%
    Balsamic 66.74%
    Herbal 66.68%
    Woody 54.59%
    Fruity 49.43%
    Fresh 46.93%
    Rose 41.11%
    Spicy 38.88%

     

    Flavor
    Herbal 47.06%
    Woody 37.05%
    Balsam 33.97%
    Floral 33.93%
    Spicy 30.35%
    Bitter 29.12%
    Warm 23.49%
    Ethyl benzoate 22.19%
    Lovage 21.54%
    Oily 21.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.84 (weak base)

    Molecular weight
    234.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 151.24 ˚C est.

  • Synonyms

    • 3-Methyl-2-hexen-1-yl 2-hydroxybenzoate
    • 610271-60-8
    • RefChem:280776
    • SCHEMBL5153087
    • SCHEMBL30379224
    • DTXSID60889196
    • RBNXLCPNIUBXGU-UHFFFAOYSA-N
    • 3-METHYLHEX-2-EN-1-YL 2-HYDROXYBENZOATE
    • 610271-60-8

  • Applications

    For 3-Methyl-2-hexen-1-yl 2-hydroxybenzoate (CAS 610271-60-8), a salicylate ester, typical real-world applications include use as a fragrance ingredient and odorant in perfumery, where it may function as a fixative to help scents last longer; as a cosmetic/personal-care component adding fragrance and serving as a potential aroma carrier; as an intermediate in fragrance synthesis in industrial manufacturing; and as a scent additive in household and cleaning products to impart a light, green note, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3251.8
    methanol 3139.99
    isopropanol 1763.4
    water 0.04
    ethyl acetate 1758.35
    n-propanol 2509.71
    acetone 2788.32
    n-butanol 1704.26
    acetonitrile 1537.09
    DMF 3488.72
    toluene 311.34
    isobutanol 1338.36
    1,4-dioxane 1511.49
    methyl acetate 1408.24
    THF 3039.49
    2-butanone 1937.54
    n-pentanol 702.76
    sec-butanol 1453.87
    n-hexane 17.46
    ethylene glycol 203.54
    NMP 1770.36
    cyclohexane 28.32
    DMSO 4007.67
    n-butyl acetate 583.41
    n-octanol 101.45
    chloroform 1403.1
    n-propyl acetate 533.84
    acetic acid 900.08
    dichloromethane 1574.17
    cyclohexanone 1539.51
    propylene glycol 569.12
    isopropyl acetate 772.24
    DMAc 1738.6
    2-ethoxyethanol 1009.0
    isopentanol 1052.11
    n-heptane 6.75
    ethyl formate 482.84
    1,2-dichloroethane 1796.6
    n-hexanol 490.72
    2-methoxyethanol 2926.37
    isobutyl acetate 296.95
    tetrachloromethane 84.71
    n-pentyl acetate 219.65
    transcutol 2890.09
    n-heptanol 134.02
    ethylbenzene 104.97
    MIBK 645.69
    2-propoxyethanol 986.89
    tert-butanol 1621.41
    MTBE 1116.7
    2-butoxyethanol 354.78
    propionic acid 741.92
    o-xylene 135.02
    formic acid 225.46
    diethyl ether 1445.69
    m-xylene 190.72
    p-xylene 126.72
    chlorobenzene 472.02
    dimethyl carbonate 440.93
    n-octane 3.72
    formamide 772.98
    cyclopentanone 2225.98
    2-pentanone 1593.61
    anisole 401.96
    cyclopentyl methyl ether 1170.19
    gamma-butyrolactone 2128.24
    1-methoxy-2-propanol 1986.11
    pyridine 1142.03
    3-pentanone 897.11
    furfural 919.0
    n-dodecane 4.58
    diethylene glycol 729.76
    diisopropyl ether 221.33
    tert-amyl alcohol 1163.02
    acetylacetone 1254.6
    n-hexadecane 5.52
    acetophenone 327.53
    methyl propionate 1408.98
    isopentyl acetate 490.75
    trichloroethylene 2459.04
    n-nonanol 97.41
    cyclohexanol 910.04
    benzyl alcohol 355.24
    2-ethylhexanol 180.18
    isooctanol 112.99
    dipropyl ether 214.67
    1,2-dichlorobenzene 319.2
    ethyl lactate 215.12
    propylene carbonate 719.05
    n-methylformamide 1562.79
    2-pentanol 879.72
    n-pentane 17.58
    1-propoxy-2-propanol 584.38
    1-methoxy-2-propyl acetate 655.51
    2-(2-methoxypropoxy) propanol 417.36
    mesitylene 99.32
    ε-caprolactone 1084.42
    p-cymene 56.93
    epichlorohydrin 3000.98
    1,1,1-trichloroethane 916.42
    2-aminoethanol 807.51
    morpholine-4-carbaldehyde 1403.66
    sulfolane 2180.4
    2,2,4-trimethylpentane 16.99
    2-methyltetrahydrofuran 2045.23
    n-hexyl acetate 308.27
    isooctane 16.98
    2-(2-butoxyethoxy)ethanol 649.05
    sec-butyl acetate 342.01
    tert-butyl acetate 815.14
    decalin 19.77
    glycerin 543.31
    diglyme 1102.96
    acrylic acid 474.01
    isopropyl myristate 115.17
    n-butyric acid 1095.8
    acetyl acetate 520.48
    di(2-ethylhexyl) phthalate 111.96
    ethyl propionate 472.95
    nitromethane 2088.92
    1,2-diethoxyethane 665.81
    benzonitrile 375.84
    trioctyl phosphate 82.78
    1-bromopropane 784.2
    gamma-valerolactone 2050.65
    n-decanol 73.85
    triethyl phosphate 123.19
    4-methyl-2-pentanol 314.93
    propionitrile 1028.76
    vinylene carbonate 510.95
    1,1,2-trichlorotrifluoroethane 1130.71
    DMS 344.44
    cumene 67.41
    2-octanol 85.35
    2-hexanone 579.16
    octyl acetate 146.36
    limonene 100.93
    1,2-dimethoxyethane 1207.57
    ethyl orthosilicate 118.86
    tributyl phosphate 114.47
    diacetone alcohol 981.25
    N,N-dimethylaniline 191.7
    acrylonitrile 1175.12
    aniline 624.8
    1,3-propanediol 1250.74
    bromobenzene 444.74
    dibromomethane 1012.2
    1,1,2,2-tetrachloroethane 1865.4
    2-methyl-cyclohexyl acetate 215.33
    tetrabutyl urea 145.84
    diisobutyl methanol 109.34
    2-phenylethanol 304.1
    styrene 160.45
    dioctyl adipate 185.48
    dimethyl sulfate 666.3
    ethyl butyrate 299.08
    methyl lactate 515.05
    butyl lactate 211.03
    diethyl carbonate 194.12
    propanediol butyl ether 344.59
    triethyl orthoformate 187.14
    p-tert-butyltoluene 61.64
    methyl 4-tert-butylbenzoate 245.54
    morpholine 2951.65
    tert-butylamine 665.08
    n-dodecanol 55.8
    dimethoxymethane 1931.53
    ethylene carbonate 468.32
    cyrene 326.7
    2-ethoxyethyl acetate 422.86
    2-ethylhexyl acetate 325.42
    1,2,4-trichlorobenzene 409.82
    4-methylpyridine 1137.79
    dibutyl ether 163.6
    2,6-dimethyl-4-heptanol 109.34
    DEF 1395.96
    dimethyl isosorbide 676.52
    tetrachloroethylene 734.58
    eugenol 254.32
    triacetin 282.01
    span 80 297.42
    1,4-butanediol 282.45
    1,1-dichloroethane 1464.83
    2-methyl-1-pentanol 530.22
    methyl formate 737.96
    2-methyl-1-butanol 1065.22
    n-decane 7.01
    butyronitrile 950.05
    3,7-dimethyl-1-octanol 143.01
    1-chlorooctane 62.03
    1-chlorotetradecane 25.51
    n-nonane 6.07
    undecane 5.55
    tert-butylcyclohexane 19.59
    cyclooctane 7.52
    cyclopentanol 1036.02
    tetrahydropyran 2018.16
    tert-amyl methyl ether 638.26
    2,5,8-trioxanonane 717.4
    1-hexene 149.97
    2-isopropoxyethanol 613.61
    2,2,2-trifluoroethanol 181.01
    methyl butyrate 613.85

    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