Cresentyl

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  • Identifiers

    CAS number
    614-32-4

    Molecular formula
    C14H12O2

    SMILES
    CC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 80.89%
    Phenolic 49.51%
    Balsamic 48.16%
    Honey 46.59%
    Animal 45.9%
    Fruity 43.91%
    Rose 41.7%
    Neroli 35.04%
    Aromatic 33.64%
    Metallic 30.65%

     

    Flavor
    Balsam 56.28%
    Sweet 52.14%
    Herbal 44.46%
    Balsamic 34.05%
    Bitter 33.34%
    Wintergreen 32.96%
    Phenolic 32.76%
    Honey 32.51%
    Floral 31.93%
    Powdery 31.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.8 (neutral)

    Molecular weight
    212.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 137.97 ˚C est.

  • Synonyms

    • Cresentyl
    • Benzoic acid, 3-methylphenyl ester
    • 614-32-4
    • m-Cresyl benzoate
    • m-Cresol, benzoate
    • Benzoic acid, m-tolyl ester
    • 55HL2W86YM
    • NSC 6264
    • NSC-6264
    • EINECS 210-378-0
    • AI3-01808
    • DTXSID1060631
    • RefChem:579413
    • DTXCID3043023
    • m-Tolyl benzoate
    • 3-methylphenyl benzoate
    • (3-methylphenyl) benzoate
    • UNII-55HL2W86YM
    • m-Kresolbenzoat
    • metacresyl benzoate
    • meta-cresyl benzoate
    • orb1697659
    • SCHEMBL4167869
    • SCHEMBL5435205
    • SCHEMBL6748833
    • SCHEMBL30689549
    • NSC6264
    • STL119891
    • AKOS001572770
    • NS00034688
    • CS-004/04014009
    • SR-01000393652
    • SR-01000393652-1
    • Q27261309
    • 614-32-4

  • Applications

    Cresentyl (CAS 614-32-4) is commonly used as an intermediate in organic synthesis and as a solvent or processing additive in industrial formulations. It is also considered as a fragrance component and odorant, potentially serving as a fixative in perfumery. In the polymer and plastics sector, it can act as a processing aid or stabilizer. In coatings and inks, it is used as a solvent or dissolving additive. Some cosmetic and personal care formulations may consider its use for fragrance purposes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 522.55
    methanol 510.03
    isopropanol 266.5
    water 0.11
    ethyl acetate 840.87
    n-propanol 427.98
    acetone 993.87
    n-butanol 392.22
    acetonitrile 823.08
    DMF 1718.0
    toluene 262.22
    isobutanol 302.2
    1,4-dioxane 1003.26
    methyl acetate 767.45
    THF 1112.03
    2-butanone 1019.74
    n-pentanol 222.98
    sec-butanol 354.68
    n-hexane 20.25
    ethylene glycol 34.97
    NMP 683.02
    cyclohexane 33.9
    DMSO 743.88
    n-butyl acetate 503.11
    n-octanol 100.48
    chloroform 1202.54
    n-propyl acetate 420.56
    acetic acid 423.18
    dichloromethane 1115.45
    cyclohexanone 952.27
    propylene glycol 79.62
    isopropyl acetate 420.19
    DMAc 1189.14
    2-ethoxyethanol 311.13
    isopentanol 314.92
    n-heptane 13.91
    ethyl formate 385.16
    1,2-dichloroethane 1197.16
    n-hexanol 243.84
    2-methoxyethanol 702.9
    isobutyl acetate 246.68
    tetrachloromethane 33.35
    n-pentyl acetate 186.47
    transcutol 1737.1
    n-heptanol 98.28
    ethylbenzene 169.62
    MIBK 374.26
    2-propoxyethanol 431.59
    tert-butanol 276.04
    MTBE 385.33
    2-butoxyethanol 218.51
    propionic acid 310.65
    o-xylene 125.06
    formic acid 91.36
    diethyl ether 745.71
    m-xylene 136.62
    p-xylene 186.66
    chlorobenzene 506.47
    dimethyl carbonate 283.81
    n-octane 7.98
    formamide 317.65
    cyclopentanone 1032.66
    2-pentanone 758.4
    anisole 468.81
    cyclopentyl methyl ether 417.3
    gamma-butyrolactone 958.13
    1-methoxy-2-propanol 520.13
    pyridine 1176.04
    3-pentanone 554.75
    furfural 743.15
    n-dodecane 10.16
    diethylene glycol 243.49
    diisopropyl ether 124.72
    tert-amyl alcohol 277.88
    acetylacetone 685.9
    n-hexadecane 11.96
    acetophenone 387.1
    methyl propionate 638.06
    isopentyl acetate 404.62
    trichloroethylene 1877.84
    n-nonanol 99.78
    cyclohexanol 267.48
    benzyl alcohol 270.59
    2-ethylhexanol 142.77
    isooctanol 87.33
    dipropyl ether 193.38
    1,2-dichlorobenzene 392.09
    ethyl lactate 145.83
    propylene carbonate 529.21
    n-methylformamide 564.45
    2-pentanol 244.53
    n-pentane 13.03
    1-propoxy-2-propanol 289.21
    1-methoxy-2-propyl acetate 392.89
    2-(2-methoxypropoxy) propanol 273.67
    mesitylene 79.43
    ε-caprolactone 699.29
    p-cymene 67.48
    epichlorohydrin 1477.63
    1,1,1-trichloroethane 555.09
    2-aminoethanol 133.1
    morpholine-4-carbaldehyde 754.34
    sulfolane 781.07
    2,2,4-trimethylpentane 13.46
    2-methyltetrahydrofuran 719.34
    n-hexyl acetate 294.88
    isooctane 11.98
    2-(2-butoxyethoxy)ethanol 425.39
    sec-butyl acetate 292.34
    tert-butyl acetate 368.22
    decalin 28.19
    glycerin 106.49
    diglyme 833.28
    acrylic acid 270.85
    isopropyl myristate 115.4
    n-butyric acid 512.37
    acetyl acetate 378.51
    di(2-ethylhexyl) phthalate 94.49
    ethyl propionate 398.6
    nitromethane 1144.75
    1,2-diethoxyethane 509.51
    benzonitrile 433.05
    trioctyl phosphate 65.48
    1-bromopropane 514.37
    gamma-valerolactone 1109.51
    n-decanol 74.09
    triethyl phosphate 124.89
    4-methyl-2-pentanol 132.19
    propionitrile 592.51
    vinylene carbonate 516.19
    1,1,2-trichlorotrifluoroethane 530.62
    DMS 324.5
    cumene 93.27
    2-octanol 71.98
    2-hexanone 442.15
    octyl acetate 143.8
    limonene 102.06
    1,2-dimethoxyethane 758.13
    ethyl orthosilicate 111.47
    tributyl phosphate 100.6
    diacetone alcohol 387.73
    N,N-dimethylaniline 206.07
    acrylonitrile 786.67
    aniline 344.98
    1,3-propanediol 254.63
    bromobenzene 495.2
    dibromomethane 696.36
    1,1,2,2-tetrachloroethane 1433.08
    2-methyl-cyclohexyl acetate 203.36
    tetrabutyl urea 124.18
    diisobutyl methanol 80.11
    2-phenylethanol 241.41
    styrene 265.43
    dioctyl adipate 181.42
    dimethyl sulfate 331.42
    ethyl butyrate 317.92
    methyl lactate 210.99
    butyl lactate 150.22
    diethyl carbonate 224.08
    propanediol butyl ether 191.85
    triethyl orthoformate 180.05
    p-tert-butyltoluene 65.99
    methyl 4-tert-butylbenzoate 211.65
    morpholine 1211.49
    tert-butylamine 151.43
    n-dodecanol 56.34
    dimethoxymethane 782.11
    ethylene carbonate 419.12
    cyrene 199.55
    2-ethoxyethyl acetate 306.53
    2-ethylhexyl acetate 299.07
    1,2,4-trichlorobenzene 413.67
    4-methylpyridine 935.95
    dibutyl ether 208.24
    2,6-dimethyl-4-heptanol 80.11
    DEF 822.07
    dimethyl isosorbide 425.31
    tetrachloroethylene 636.8
    eugenol 222.67
    triacetin 279.91
    span 80 192.03
    1,4-butanediol 66.79
    1,1-dichloroethane 832.5
    2-methyl-1-pentanol 235.73
    methyl formate 381.86
    2-methyl-1-butanol 313.78
    n-decane 15.1
    butyronitrile 597.77
    3,7-dimethyl-1-octanol 123.14
    1-chlorooctane 90.29
    1-chlorotetradecane 36.19
    n-nonane 12.95
    undecane 11.99
    tert-butylcyclohexane 24.93
    cyclooctane 9.74
    cyclopentanol 231.2
    tetrahydropyran 996.85
    tert-amyl methyl ether 285.91
    2,5,8-trioxanonane 529.81
    1-hexene 165.04
    2-isopropoxyethanol 218.2
    2,2,2-trifluoroethanol 107.79
    methyl butyrate 533.55

    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