2-Ethylhexyl benzoate

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  • Identifiers

    CAS number
    5444-75-7

    Molecular formula
    C15H22O2

    SMILES
    CCCCC(CC)COC(=O)C1=CC=CC=C1

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Balsamic 61.3%
    Fruity 56.04%
    Herbal 49.77%
    Floral 45.96%
    Sweet 43.05%
    Oily 34.42%
    Woody 32.07%
    Spicy 28.91%
    Jasmin 25.53%
    Green 25.18%

     

    Flavor
    Green 46.68%
    Balsam 44.24%
    Herbal 44.13%
    Waxy 39.43%
    Floral 35.15%
    Fruity 34.54%
    Oily 34.51%
    Woody 29.3%
    Jasmin 28.2%
    Fresh 27.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.06 (neutral)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    299°C

    Flash point

    • 132.16 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Ethylhexyl benzoate
    • 5444-75-7
    • Ethylhexyl benzoate
    • Benzoic acid, 2-ethylhexyl ester
    • 2-Ethyl-1-hexanol benzoate
    • Benzoic Acid 2-Ethylhexyl Ester
    • UNII-R63ZWW1A13
    • R63ZWW1A13
    • DTXSID4041654
    • FINSOLV EB
    • EINECS 226-641-8
    • NSC 19155
    • NSC-19155
    • HI-ESTER B 508
    • DTXCID2021654
    • FEMA NO. 4630
    • EC 226-641-8
    • 1-HEXANOL, 2-ETHYL-, BENZOATE
    • benzoic acid 2-ethyl-hexyl ester
    • MFCD00072620
    • SCHEMBL79515
    • CHEMBL3184685
    • 2-Ethylhexyl benzoate, AldrichCPR
    • ETHYLHEXYL BENZOATE [INCI]
    • NSC19155
    • Tox21_301476
    • AKOS016846200
    • DB11291
    • s12391
    • NCGC00255605-01
    • LS-14436
    • PD098395
    • CAS-5444-75-7
    • B1977
    • CS-0186634
    • NS00005573
    • Q27287844
    • 226-641-8

  • Applications

    Chemical name: 2-Ethylhexyl benzoate; CAS number: 5444-75-7 is used primarily as a plasticizer for PVC and other polymers, improving flexibility and processability of plastics. It also serves as a solvent/vehicle in coatings, inks, and adhesives to enhance dissolution and pigment dispersion. In perfumery, it is employed as a fragrance ingredient and fixative to stabilize aroma. In cosmetics and personal care, it acts as a solvent and carrier for formulation ingredients in various products. In household cleaning products, it can function as a solvent for difficult-to-dissolve components. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8309.67
    methanol 8321.1
    isopropanol 5123.69
    water 0.18
    ethyl acetate 11149.48
    n-propanol 6568.27
    acetone 12288.63
    n-butanol 5656.01
    acetonitrile 10799.71
    DMF 9206.44
    toluene 3426.66
    isobutanol 4462.67
    1,4-dioxane 6498.68
    methyl acetate 7391.78
    THF 5787.05
    2-butanone 9593.65
    n-pentanol 2579.65
    sec-butanol 4274.89
    n-hexane 400.65
    ethylene glycol 267.51
    NMP 4452.41
    cyclohexane 938.2
    DMSO 5641.33
    n-butyl acetate 5654.6
    n-octanol 784.04
    chloroform 12144.85
    n-propyl acetate 4939.23
    acetic acid 3369.03
    dichloromethane 15926.15
    cyclohexanone 10004.24
    propylene glycol 590.38
    isopropyl acetate 5193.45
    DMAc 5296.96
    2-ethoxyethanol 2877.72
    isopentanol 4054.52
    n-heptane 138.88
    ethyl formate 4127.75
    1,2-dichloroethane 13856.74
    n-hexanol 2522.89
    2-methoxyethanol 5367.1
    isobutyl acetate 2301.92
    tetrachloromethane 1117.87
    n-pentyl acetate 2414.75
    transcutol 9052.11
    n-heptanol 831.17
    ethylbenzene 1363.77
    MIBK 3124.98
    2-propoxyethanol 3530.73
    tert-butanol 4145.66
    MTBE 6571.95
    2-butoxyethanol 1632.47
    propionic acid 3154.38
    o-xylene 1448.14
    formic acid 604.75
    diethyl ether 10179.94
    m-xylene 1573.02
    p-xylene 1611.34
    chlorobenzene 5128.82
    dimethyl carbonate 1480.85
    n-octane 70.71
    formamide 1794.62
    cyclopentanone 7234.73
    2-pentanone 8205.74
    anisole 2747.91
    cyclopentyl methyl ether 4020.29
    gamma-butyrolactone 6507.96
    1-methoxy-2-propanol 3705.22
    pyridine 9128.38
    3-pentanone 5259.31
    furfural 4764.66
    n-dodecane 56.1
    diethylene glycol 1401.67
    diisopropyl ether 1631.93
    tert-amyl alcohol 3501.3
    acetylacetone 5779.89
    n-hexadecane 69.19
    acetophenone 2381.55
    methyl propionate 5966.08
    isopentyl acetate 4053.05
    trichloroethylene 18953.88
    n-nonanol 678.21
    cyclohexanol 3571.34
    benzyl alcohol 1776.64
    2-ethylhexanol 1339.73
    isooctanol 713.85
    dipropyl ether 1997.87
    1,2-dichlorobenzene 3496.05
    ethyl lactate 961.46
    propylene carbonate 3707.58
    n-methylformamide 4655.95
    2-pentanol 3455.01
    n-pentane 386.37
    1-propoxy-2-propanol 2496.32
    1-methoxy-2-propyl acetate 3075.31
    2-(2-methoxypropoxy) propanol 1158.0
    mesitylene 802.88
    ε-caprolactone 7231.88
    p-cymene 514.79
    epichlorohydrin 10544.16
    1,1,1-trichloroethane 8718.71
    2-aminoethanol 1291.36
    morpholine-4-carbaldehyde 4143.26
    sulfolane 5072.74
    2,2,4-trimethylpentane 168.84
    2-methyltetrahydrofuran 6137.76
    n-hexyl acetate 2654.2
    isooctane 143.77
    2-(2-butoxyethoxy)ethanol 1940.85
    sec-butyl acetate 2882.08
    tert-butyl acetate 3751.6
    decalin 290.95
    glycerin 549.61
    diglyme 4211.25
    acrylic acid 2023.53
    isopropyl myristate 755.2
    n-butyric acid 6804.08
    acetyl acetate 3652.7
    di(2-ethylhexyl) phthalate 498.62
    ethyl propionate 3788.29
    nitromethane 8236.68
    1,2-diethoxyethane 4832.86
    benzonitrile 3435.75
    trioctyl phosphate 388.19
    1-bromopropane 8022.26
    gamma-valerolactone 8188.16
    n-decanol 465.59
    triethyl phosphate 679.62
    4-methyl-2-pentanol 1312.84
    propionitrile 7234.24
    vinylene carbonate 3329.16
    1,1,2-trichlorotrifluoroethane 3510.43
    DMS 1885.55
    cumene 671.78
    2-octanol 614.53
    2-hexanone 4174.61
    octyl acetate 981.12
    limonene 898.15
    1,2-dimethoxyethane 5680.22
    ethyl orthosilicate 656.64
    tributyl phosphate 575.65
    diacetone alcohol 2549.26
    N,N-dimethylaniline 1211.38
    acrylonitrile 7276.7
    aniline 3211.71
    1,3-propanediol 2440.64
    bromobenzene 5665.9
    dibromomethane 10203.84
    1,1,2,2-tetrachloroethane 13018.3
    2-methyl-cyclohexyl acetate 1331.72
    tetrabutyl urea 742.16
    diisobutyl methanol 627.38
    2-phenylethanol 1651.65
    styrene 2229.34
    dioctyl adipate 908.12
    dimethyl sulfate 1590.45
    ethyl butyrate 2938.49
    methyl lactate 1249.58
    butyl lactate 1244.93
    diethyl carbonate 1528.58
    propanediol butyl ether 1124.33
    triethyl orthoformate 1290.32
    p-tert-butyltoluene 457.12
    methyl 4-tert-butylbenzoate 1145.36
    morpholine 8922.33
    tert-butylamine 2587.22
    n-dodecanol 333.38
    dimethoxymethane 5179.82
    ethylene carbonate 3207.03
    cyrene 867.49
    2-ethoxyethyl acetate 2987.23
    2-ethylhexyl acetate 2761.18
    1,2,4-trichlorobenzene 3523.89
    4-methylpyridine 9221.85
    dibutyl ether 1837.08
    2,6-dimethyl-4-heptanol 627.38
    DEF 8066.11
    dimethyl isosorbide 1787.5
    tetrachloroethylene 7150.36
    eugenol 1121.44
    triacetin 1568.41
    span 80 964.86
    1,4-butanediol 678.9
    1,1-dichloroethane 13649.3
    2-methyl-1-pentanol 2240.1
    methyl formate 2642.48
    2-methyl-1-butanol 4191.57
    n-decane 104.51
    butyronitrile 8113.16
    3,7-dimethyl-1-octanol 949.33
    1-chlorooctane 759.34
    1-chlorotetradecane 226.56
    n-nonane 99.47
    undecane 72.72
    tert-butylcyclohexane 229.53
    cyclooctane 185.77
    cyclopentanol 2655.61
    tetrahydropyran 9748.3
    tert-amyl methyl ether 3392.82
    2,5,8-trioxanonane 2127.89
    1-hexene 2348.33
    2-isopropoxyethanol 1885.54
    2,2,2-trifluoroethanol 749.76
    methyl butyrate 5979.02

    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