Pentylphenyl methoxybenzoate

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  • Identifiers

    CAS number
    38444-13-2

    Molecular formula
    C19H22O3

    SMILES
    CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 64.29%
    Balsamic 62.21%
    Herbal 50.6%
    Sweet 49.46%
    Spicy 44.55%
    Phenolic 35.0%
    Animal 34.93%
    Aromatic 32.3%
    Green 31.95%
    Anisic 28.97%

     

    Flavor
    Balsam 54.53%
    Herbal 51.54%
    Woody 42.43%
    Sweet 36.01%
    Spicy 32.21%
    Warm 28.93%
    Balsamic 28.42%
    Floral 27.86%
    Spice 26.48%
    Oily 25.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    8.4 (weak base)

    Molecular weight
    298.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    406°C

    Flash point

    • 173.39 ˚C est.

  • Synonyms

    • 4-Pentylphenyl 4-methoxybenzoate
    • 38444-13-2
    • PENTYLPHENYL METHOXYBENZOATE
    • p-Pentylphenyl p-anisate
    • Benzoic acid, 4-methoxy-, 4-pentylphenyl ester
    • 4-n-Pentylphenyl p-anisate
    • 5C69KDR77Y
    • EINECS 253-932-7
    • NEMATEL 105
    • DTXSID3068099
    • P-AMYLPHENYL P-METHOXYBENZOATE
    • P-PENTYLPHENYL P-METHOXYBENZOATE
    • 4-AMYLPHENYL 4'-METHOXYBENZOATE
    • PENTYLPHENYL 4-METHOXYBENZOATE, 4-
    • RefChem:860102
    • DTXCID4039499
    • PENTYLPHENYL METHOXYBENZOATE [INCI]
    • 253-932-7
    • (4-pentylphenyl) 4-methoxybenzoate
    • 4-Amylphenyl 4'-methoyxbenzoate
    • MFCD08276868
    • 4-AMYLPHENYL 4-METHOYXBENZOATE
    • UNII-5C69KDR77Y
    • MeOBzo5P
    • SCHEMBL508383
    • 4-Pentylphenyl4-methoxybenzoate
    • UISXVYOLBGBYCV-UHFFFAOYSA-N
    • ME105
    • 4-n-Pentylphenyl 4-methoxybenzoate
    • AKOS015888912
    • 4-Pentylphenyl 4-methoxybenzoate, 97%
    • AS-30880
    • NS00030387
    • P2692
    • Q27261819
    • 38444-13-2

  • Applications

    Pentylphenyl methoxybenzoate (CAS 38444-13-2) is used as a fragrance ingredient and fixative in perfumery and personal care products; it may function as a solvent or carrier in cosmetic formulations; it serves as an intermediate in the synthesis of other aromatic esters; it can act as a plasticizer or processing aid in polymers and coatings; and it is sometimes evaluated for fragrance or processing aid use in coatings and inks, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 281.08
    methanol 421.03
    isopropanol 122.84
    water 0.03
    ethyl acetate 1119.43
    n-propanol 292.43
    acetone 589.46
    n-butanol 210.55
    acetonitrile 470.86
    DMF 591.12
    toluene 497.49
    isobutanol 134.51
    1,4-dioxane 657.37
    methyl acetate 732.72
    THF 834.79
    2-butanone 726.78
    n-pentanol 144.59
    sec-butanol 189.75
    n-hexane 6.15
    ethylene glycol 25.77
    NMP 525.76
    cyclohexane 20.3
    DMSO 1028.9
    n-butyl acetate 321.48
    n-octanol 22.25
    chloroform 2522.73
    n-propyl acetate 361.93
    acetic acid 308.36
    dichloromethane 3463.69
    cyclohexanone 839.83
    propylene glycol 72.62
    isopropyl acetate 430.32
    DMAc 869.11
    2-ethoxyethanol 404.96
    isopentanol 155.26
    n-heptane 3.09
    ethyl formate 238.24
    1,2-dichloroethane 2508.13
    n-hexanol 84.37
    2-methoxyethanol 605.09
    isobutyl acetate 183.98
    tetrachloromethane 113.78
    n-pentyl acetate 139.58
    transcutol 1766.33
    n-heptanol 33.16
    ethylbenzene 130.43
    MIBK 253.58
    2-propoxyethanol 298.75
    tert-butanol 157.11
    MTBE 331.25
    2-butoxyethanol 130.05
    propionic acid 289.39
    o-xylene 177.73
    formic acid 102.8
    diethyl ether 708.93
    m-xylene 168.03
    p-xylene 135.18
    chlorobenzene 656.12
    dimethyl carbonate 287.3
    n-octane 1.63
    formamide 353.76
    cyclopentanone 816.8
    2-pentanone 564.87
    anisole 391.78
    cyclopentyl methyl ether 478.82
    gamma-butyrolactone 923.2
    1-methoxy-2-propanol 390.22
    pyridine 1132.17
    3-pentanone 527.43
    furfural 752.15
    n-dodecane 1.81
    diethylene glycol 183.28
    diisopropyl ether 84.66
    tert-amyl alcohol 188.26
    acetylacetone 709.28
    n-hexadecane 2.24
    acetophenone 367.3
    methyl propionate 788.67
    isopentyl acetate 268.87
    trichloroethylene 3671.9
    n-nonanol 24.91
    cyclohexanol 208.71
    benzyl alcohol 258.92
    2-ethylhexanol 55.8
    isooctanol 33.85
    dipropyl ether 103.59
    1,2-dichlorobenzene 522.86
    ethyl lactate 128.45
    propylene carbonate 411.5
    n-methylformamide 368.29
    2-pentanol 122.56
    n-pentane 5.06
    1-propoxy-2-propanol 188.22
    1-methoxy-2-propyl acetate 416.49
    2-(2-methoxypropoxy) propanol 197.82
    mesitylene 72.97
    ε-caprolactone 652.28
    p-cymene 44.59
    epichlorohydrin 1911.1
    1,1,1-trichloroethane 1003.31
    2-aminoethanol 106.75
    morpholine-4-carbaldehyde 606.01
    sulfolane 927.51
    2,2,4-trimethylpentane 7.42
    2-methyltetrahydrofuran 599.0
    n-hexyl acetate 150.39
    isooctane 4.85
    2-(2-butoxyethoxy)ethanol 273.25
    sec-butyl acetate 253.0
    tert-butyl acetate 397.45
    decalin 13.3
    glycerin 100.44
    diglyme 676.43
    acrylic acid 247.27
    isopropyl myristate 54.78
    n-butyric acid 401.28
    acetyl acetate 475.28
    di(2-ethylhexyl) phthalate 61.17
    ethyl propionate 328.69
    nitromethane 1042.53
    1,2-diethoxyethane 490.57
    benzonitrile 327.92
    trioctyl phosphate 33.53
    1-bromopropane 794.99
    gamma-valerolactone 956.92
    n-decanol 18.32
    triethyl phosphate 108.3
    4-methyl-2-pentanol 59.22
    propionitrile 389.54
    vinylene carbonate 385.77
    1,1,2-trichlorotrifluoroethane 796.59
    DMS 285.42
    cumene 58.49
    2-octanol 20.87
    2-hexanone 299.32
    octyl acetate 65.91
    limonene 65.6
    1,2-dimethoxyethane 582.12
    ethyl orthosilicate 102.41
    tributyl phosphate 60.01
    diacetone alcohol 319.47
    N,N-dimethylaniline 171.64
    acrylonitrile 539.63
    aniline 519.72
    1,3-propanediol 181.85
    bromobenzene 788.04
    dibromomethane 1838.42
    1,1,2,2-tetrachloroethane 2596.93
    2-methyl-cyclohexyl acetate 159.36
    tetrabutyl urea 72.92
    diisobutyl methanol 37.92
    2-phenylethanol 180.1
    styrene 224.0
    dioctyl adipate 111.43
    dimethyl sulfate 392.31
    ethyl butyrate 233.82
    methyl lactate 202.3
    butyl lactate 109.19
    diethyl carbonate 172.23
    propanediol butyl ether 104.72
    triethyl orthoformate 153.96
    p-tert-butyltoluene 42.58
    methyl 4-tert-butylbenzoate 165.57
    morpholine 942.02
    tert-butylamine 80.32
    n-dodecanol 14.3
    dimethoxymethane 735.63
    ethylene carbonate 316.38
    cyrene 175.74
    2-ethoxyethyl acetate 345.79
    2-ethylhexyl acetate 206.51
    1,2,4-trichlorobenzene 644.53
    4-methylpyridine 927.07
    dibutyl ether 76.88
    2,6-dimethyl-4-heptanol 37.92
    DEF 720.56
    dimethyl isosorbide 369.0
    tetrachloroethylene 1217.41
    eugenol 158.39
    triacetin 239.73
    span 80 121.28
    1,4-butanediol 60.3
    1,1-dichloroethane 1510.58
    2-methyl-1-pentanol 147.18
    methyl formate 228.35
    2-methyl-1-butanol 174.29
    n-decane 2.88
    butyronitrile 295.71
    3,7-dimethyl-1-octanol 41.19
    1-chlorooctane 25.18
    1-chlorotetradecane 10.26
    n-nonane 2.35
    undecane 2.17
    tert-butylcyclohexane 10.2
    cyclooctane 4.86
    cyclopentanol 159.36
    tetrahydropyran 730.89
    tert-amyl methyl ether 250.13
    2,5,8-trioxanonane 399.07
    1-hexene 59.09
    2-isopropoxyethanol 247.24
    2,2,2-trifluoroethanol 102.98
    methyl butyrate 416.45

    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