Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate

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  • Identifiers

    CAS number
    302776-68-7

    Molecular formula
    C24H31NO4

    SMILES
    CCCCCCOC(=O)C1=CC=CC=C1C(=O)C2=C(C=C(C=C2)N(CC)CC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 44.51%
    Floral 44.44%
    Grape 42.76%
    Fruity 35.18%
    Fresh 33.09%
    Herbal 32.22%
    Citrus 32.15%
    Balsamic 30.23%
    Odorless 29.18%
    Spicy 26.55%

     

    Flavor
    Bitter 65.08%
    Herbal 31.53%
    Odorless 28.56%
    Bland 26.58%
    Lovage 20.6%
    Cedarleaf 20.27%
    Parsley 19.89%
    Heather 19.78%
    Genet 19.4%
    Broom 19.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.34 (neutral)

    Molecular weight
    397.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    575°C

    Melting point expt.

    • 54, Decomposes at 314

    Flash point

    • 229.95 ˚C est.

    Solubility expt.

    • < 0.01 mg/L

  • Synonyms

    • 302776-68-7
    • Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate
    • Diethylamino hydroxybenzoyl hexyl benzoate
    • Hexyl 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoate
    • Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester
    • ANQ870JD20
    • DTXSID60184370
    • Benzoic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)-, hexyl ester
    • RefChem:133468
    • DTXCID70106861
    • 443-860-6
    • 608-453-1
    • Uvinul A Plus
    • MFCD11616752
    • 2-[4-(DIETHYLAMINO)-2-HYDROXYBENZOYL]BENZOIC ACID HEXYL ESTER
    • C24H31NO4
    • n-Hexyl 2-(4-Diethylamino-2-hydroxybenzoyl)benzoate
    • 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid hexyl ester; Hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate; Uvinul A Plus; n-Hexyl 2-(4-Diethylamino-2-hydroxybenzoyl)benzoate
    • UNII-ANQ870JD20
    • SCHEMBL269491
    • hexyl 2-[4-(diethylamino)-2-hydroxy-benzoyl]benzoate
    • orb1307085
    • SCHEMBL29365981
    • SCHEMBL29375099
    • MSK3445
    • CHEBI:136006
    • EBC-26939
    • MSK3445-100A
    • AKOS024462406
    • MSK3445-1000A
    • DB11269
    • HY-109656R
    • SB83661
    • DS-18618
    • FD161840
    • PD071990
    • SY114446
    • HY-109656
    • CS-0033786
    • NS00019490
    • D94639
    • EC 443-860-6
    • EN300-7414270
    • Hexyl2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate
    • Q5275146
    • Diethylamino hydroxybenzoyl hexyl benzoate (Standard)
    • DIETHYLAMINO HYDROXYBENZOYL HEXYL BENZOATE [MI]
    • n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)-benzoate
    • DIETHYLAMINO HYDROXYBENZOYL HEXYL BENZOATE [WHO-DD]
    • HEXYL 2-(1-(DIETHYLAMINOHYDROXYPHENYL)METHANOYL)BENZOATE
    • Hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate, analytical standard
    • 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid hexyl ester Solution in Acetonitrile, 1000ug/mL
    • 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid hexyl ester Solution in Acetonitrile, 100ug/mL
    • Diethylamino Hydroxybenzoyl Hexyl Benzoate, Pharmaceutical Secondary Standard; Certified Reference Material
    • 302776-68-7

  • Applications

    Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate is an aromatic ester classified as a specialty intermediate and additive for UV-active systems. Real-world applications typically include: in coatings, inks, and UV-curable adhesives, where it can function as a photoinitiator or co-initiator; it may act as a UV absorber or light stabilizer within polymer and coating formulations to enhance photostability and weather resistance; in colorant chemistry, it serves as an intermediate for dye and pigment synthesis; it is also evaluated as a precursor for functional materials used in electronics and optics, such as photoresist formulations; use is formulation- and regulation-dependent and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.99
    methanol 46.26
    isopropanol 24.88
    water 0.11
    ethyl acetate 104.36
    n-propanol 60.18
    acetone 155.8
    n-butanol 46.2
    acetonitrile 48.3
    DMF 364.67
    toluene 82.22
    isobutanol 37.06
    1,4-dioxane 71.6
    methyl acetate 127.69
    THF 179.58
    2-butanone 180.94
    n-pentanol 33.75
    sec-butanol 43.29
    n-hexane 1.38
    ethylene glycol 8.31
    NMP 644.79
    cyclohexane 3.13
    DMSO 298.6
    n-butyl acetate 52.21
    n-octanol 5.36
    chloroform 711.57
    n-propyl acetate 53.31
    acetic acid 139.92
    dichloromethane 857.44
    cyclohexanone 283.9
    propylene glycol 15.91
    isopropyl acetate 61.04
    DMAc 723.39
    2-ethoxyethanol 61.3
    isopentanol 38.06
    n-heptane 0.46
    ethyl formate 49.04
    1,2-dichloroethane 544.05
    n-hexanol 20.33
    2-methoxyethanol 102.09
    isobutyl acetate 31.48
    tetrachloromethane 63.03
    n-pentyl acetate 38.73
    transcutol 153.7
    n-heptanol 10.25
    ethylbenzene 23.67
    MIBK 54.6
    2-propoxyethanol 70.57
    tert-butanol 31.46
    MTBE 35.16
    2-butoxyethanol 42.18
    propionic acid 103.25
    o-xylene 43.42
    formic acid 47.76
    diethyl ether 35.73
    m-xylene 33.28
    p-xylene 32.44
    chlorobenzene 177.83
    dimethyl carbonate 102.67
    n-octane 0.33
    formamide 101.14
    cyclopentanone 348.98
    2-pentanone 112.59
    anisole 55.3
    cyclopentyl methyl ether 79.54
    gamma-butyrolactone 353.61
    1-methoxy-2-propanol 74.49
    pyridine 202.19
    3-pentanone 138.97
    furfural 250.78
    n-dodecane 0.33
    diethylene glycol 48.44
    diisopropyl ether 9.28
    tert-amyl alcohol 43.3
    acetylacetone 147.68
    n-hexadecane 0.39
    acetophenone 89.5
    methyl propionate 160.83
    isopentyl acetate 51.69
    trichloroethylene 1036.58
    n-nonanol 6.57
    cyclohexanol 62.92
    benzyl alcohol 68.48
    2-ethylhexanol 13.65
    isooctanol 10.06
    dipropyl ether 12.63
    1,2-dichlorobenzene 160.74
    ethyl lactate 38.99
    propylene carbonate 155.63
    n-methylformamide 139.7
    2-pentanol 24.89
    n-pentane 1.32
    1-propoxy-2-propanol 44.78
    1-methoxy-2-propyl acetate 85.86
    2-(2-methoxypropoxy) propanol 50.96
    mesitylene 15.26
    ε-caprolactone 218.19
    p-cymene 10.56
    epichlorohydrin 440.89
    1,1,1-trichloroethane 309.28
    2-aminoethanol 26.37
    morpholine-4-carbaldehyde 272.0
    sulfolane 512.42
    2,2,4-trimethylpentane 1.67
    2-methyltetrahydrofuran 119.95
    n-hexyl acetate 34.54
    isooctane 0.77
    2-(2-butoxyethoxy)ethanol 54.91
    sec-butyl acetate 42.24
    tert-butyl acetate 65.54
    decalin 2.57
    glycerin 31.89
    diglyme 121.32
    acrylic acid 108.92
    isopropyl myristate 12.69
    n-butyric acid 118.58
    acetyl acetate 88.33
    di(2-ethylhexyl) phthalate 26.11
    ethyl propionate 62.5
    nitromethane 282.19
    1,2-diethoxyethane 42.32
    benzonitrile 70.36
    trioctyl phosphate 13.9
    1-bromopropane 148.59
    gamma-valerolactone 361.65
    n-decanol 4.77
    triethyl phosphate 32.78
    4-methyl-2-pentanol 14.8
    propionitrile 64.48
    vinylene carbonate 158.52
    1,1,2-trichlorotrifluoroethane 349.21
    DMS 80.28
    cumene 14.17
    2-octanol 5.97
    2-hexanone 61.55
    octyl acetate 18.94
    limonene 14.54
    1,2-dimethoxyethane 90.1
    ethyl orthosilicate 27.95
    tributyl phosphate 20.09
    diacetone alcohol 82.14
    N,N-dimethylaniline 38.41
    acrylonitrile 97.31
    aniline 123.56
    1,3-propanediol 41.39
    bromobenzene 176.32
    dibromomethane 443.31
    1,1,2,2-tetrachloroethane 732.36
    2-methyl-cyclohexyl acetate 41.65
    tetrabutyl urea 28.81
    diisobutyl methanol 8.45
    2-phenylethanol 50.35
    styrene 35.11
    dioctyl adipate 31.59
    dimethyl sulfate 223.19
    ethyl butyrate 41.87
    methyl lactate 79.43
    butyl lactate 37.81
    diethyl carbonate 35.63
    propanediol butyl ether 26.46
    triethyl orthoformate 32.29
    p-tert-butyltoluene 9.41
    methyl 4-tert-butylbenzoate 61.88
    morpholine 123.93
    tert-butylamine 15.76
    n-dodecanol 3.66
    dimethoxymethane 140.16
    ethylene carbonate 126.66
    cyrene 78.36
    2-ethoxyethyl acetate 76.84
    2-ethylhexyl acetate 40.57
    1,2,4-trichlorobenzene 218.91
    4-methylpyridine 199.65
    dibutyl ether 9.15
    2,6-dimethyl-4-heptanol 8.45
    DEF 209.78
    dimethyl isosorbide 106.83
    tetrachloroethylene 404.89
    eugenol 59.13
    triacetin 64.12
    span 80 37.92
    1,4-butanediol 17.23
    1,1-dichloroethane 334.36
    2-methyl-1-pentanol 37.55
    methyl formate 89.37
    2-methyl-1-butanol 51.26
    n-decane 0.55
    butyronitrile 46.54
    3,7-dimethyl-1-octanol 8.9
    1-chlorooctane 5.05
    1-chlorotetradecane 2.1
    n-nonane 0.42
    undecane 0.4
    tert-butylcyclohexane 1.83
    cyclooctane 0.78
    cyclopentanol 65.64
    tetrahydropyran 86.68
    tert-amyl methyl ether 39.37
    2,5,8-trioxanonane 83.27
    1-hexene 10.08
    2-isopropoxyethanol 43.25
    2,2,2-trifluoroethanol 82.36
    methyl butyrate 80.13

    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