Heptyl p-hydroxybenzoate

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  • Identifiers

    CAS number
    1085-12-7

    Molecular formula
    C14H20O3

    SMILES
    CCCCCCCOC(=O)C1=CC=C(C=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 70.8%
    Balsamic 64.44%
    Sweet 58.37%
    Herbal 47.96%
    Green 44.21%
    Spicy 39.13%
    Fresh 36.43%
    Fruity 34.66%
    Woody 33.67%
    Jasmin 30.7%

     

    Flavor
    Herbal 48.98%
    Balsam 43.33%
    Woody 42.33%
    Floral 32.16%
    Oily 31.12%
    Spicy 30.73%
    Waxy 27.26%
    Warm 26.6%
    Amber 25.33%
    Mild 24.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.02 (weak base)

    Molecular weight
    236.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    368°C

    Melting point expt.

    • 49 - 51 °C

    Flash point

    • 159.29 ˚C est.

    Solubility expt.

    • 0.02 mg/mL at 30 °C

  • Synonyms

    • Heptyl 4-hydroxybenzoate
    • 1085-12-7
    • Heptylparaben
    • Heptyl p-hydroxybenzoate
    • Heptyl paraben
    • Nipaheptyl
    • n-Heptyl p-hydroxybenzoate
    • Staypro WS 7
    • Benzoic acid, 4-hydroxy-, heptyl ester
    • p-Hydroxybenzoic acid heptyl ester
    • BENZOIC ACID, p-HYDROXY-, HEPTYL ESTER
    • K2CIJ448IX
    • DTXSID4022523
    • NSC-309818
    • DTXCID002523
    • RefChem:145722
    • 214-115-0
    • n-Heptyl 4-hydroxybenzoate
    • p-Oxybenzoesaureheptylester
    • MFCD00016481
    • NSC 309818
    • 4-Hydroxybenzoic acid-n-heptyl ester
    • Benzoic acid, 4-hydroxy-, n-heptyl ester
    • CAS-1085-12-7
    • n-Heptyl paraben; Heptyl parahydroxybenzoate
    • Heptyl4-hydroxybenzoate
    • p-Oxybenzoesaureheptylester [German]
    • EINECS 214-115-0
    • UNII-K2CIJ448IX
    • BRN 2726540
    • 4-Hydroxybenzoic Acid Heptyl Ester
    • Heptyl p-hydroxy benzoate
    • n-heptyl-p-hydroxybenzoate
    • HEPTYLHYDROXYBENZOATE
    • HEPTYLPARABEN [FCC]
    • SCHEMBL66483
    • BIDD:ER0012
    • CHEMBL3186719
    • CHEBI:34788
    • Tox21_200540
    • Tox21_303458
    • 4-Hydroxy-benzoic Acid Heptyl Ester
    • MSK000086
    • NSC309818
    • Heptyl 4-hydroxybenzoate, AldrichCPR
    • AKOS016846150
    • FH64886
    • NCGC00248687-01
    • NCGC00257279-01
    • NCGC00258094-01
    • AS-58175
    • SY037556
    • DB-040833
    • CS-0207373
    • H0212
    • NS00021501
    • ST50825856
    • D90817
    • F144300
    • Q5732121
    • 1085-12-7

  • Applications

    Chemical name: Heptyl p-hydroxybenzoate; CAS number: 1085-12-7 is primarily used as a preservative in cosmetics and personal care products to inhibit microbial growth; it is also employed as a preservative in pharmaceutical formulations and topical dosage forms such as creams and gels; additionally, it can serve as an intermediate in the synthesis of other p-hydroxybenzoate derivatives or related fragrance components; in certain industrial systems like coatings and water-based inks, it may be incorporated as a preservative or formulation stabilizer under appropriate regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4280.58
    methanol 6646.14
    isopropanol 1870.9
    water 0.06
    ethyl acetate 3535.25
    n-propanol 2793.0
    acetone 5805.85
    n-butanol 1761.08
    acetonitrile 3118.71
    DMF 5101.56
    toluene 521.14
    isobutanol 1332.38
    1,4-dioxane 1765.88
    methyl acetate 2337.51
    THF 2984.63
    2-butanone 3098.85
    n-pentanol 871.34
    sec-butanol 1543.26
    n-hexane 21.71
    ethylene glycol 176.67
    NMP 2366.6
    cyclohexane 32.92
    DMSO 6875.98
    n-butyl acetate 1232.73
    n-octanol 164.91
    chloroform 1983.53
    n-propyl acetate 1306.1
    acetic acid 1485.45
    dichloromethane 2930.51
    cyclohexanone 2638.05
    propylene glycol 428.27
    isopropyl acetate 1391.23
    DMAc 2427.19
    2-ethoxyethanol 1454.42
    isopentanol 1123.32
    n-heptane 8.7
    ethyl formate 996.96
    1,2-dichloroethane 2893.21
    n-hexanol 562.22
    2-methoxyethanol 3213.55
    isobutyl acetate 630.68
    tetrachloromethane 133.9
    n-pentyl acetate 546.42
    transcutol 5245.48
    n-heptanol 190.84
    ethylbenzene 200.65
    MIBK 1028.27
    2-propoxyethanol 1228.45
    tert-butanol 1705.2
    MTBE 1871.75
    2-butoxyethanol 537.79
    propionic acid 1252.46
    o-xylene 245.51
    formic acid 402.83
    diethyl ether 2550.97
    m-xylene 292.79
    p-xylene 232.15
    chlorobenzene 753.86
    dimethyl carbonate 596.62
    n-octane 5.29
    formamide 1341.85
    cyclopentanone 3251.76
    2-pentanone 2823.66
    anisole 623.76
    cyclopentyl methyl ether 1412.69
    gamma-butyrolactone 2980.87
    1-methoxy-2-propanol 2139.46
    pyridine 1837.74
    3-pentanone 1499.96
    furfural 1644.82
    n-dodecane 6.59
    diethylene glycol 751.56
    diisopropyl ether 341.43
    tert-amyl alcohol 1285.24
    acetylacetone 2243.66
    n-hexadecane 8.07
    acetophenone 640.91
    methyl propionate 2285.23
    isopentyl acetate 956.92
    trichloroethylene 3889.1
    n-nonanol 153.85
    cyclohexanol 873.23
    benzyl alcohol 525.86
    2-ethylhexanol 264.05
    isooctanol 169.67
    dipropyl ether 367.71
    1,2-dichlorobenzene 576.17
    ethyl lactate 356.77
    propylene carbonate 1189.89
    n-methylformamide 2672.29
    2-pentanol 1000.32
    n-pentane 18.15
    1-propoxy-2-propanol 854.89
    1-methoxy-2-propyl acetate 990.07
    2-(2-methoxypropoxy) propanol 523.42
    mesitylene 153.8
    ε-caprolactone 1823.59
    p-cymene 96.92
    epichlorohydrin 3724.22
    1,1,1-trichloroethane 1227.39
    2-aminoethanol 817.3
    morpholine-4-carbaldehyde 1810.69
    sulfolane 3135.88
    2,2,4-trimethylpentane 22.48
    2-methyltetrahydrofuran 2293.03
    n-hexyl acetate 648.26
    isooctane 18.33
    2-(2-butoxyethoxy)ethanol 875.59
    sec-butyl acetate 780.04
    tert-butyl acetate 1176.29
    decalin 28.01
    glycerin 431.97
    diglyme 1697.7
    acrylic acid 809.34
    isopropyl myristate 193.81
    n-butyric acid 1998.74
    acetyl acetate 995.69
    di(2-ethylhexyl) phthalate 167.29
    ethyl propionate 942.23
    nitromethane 4130.42
    1,2-diethoxyethane 1332.44
    benzonitrile 724.14
    trioctyl phosphate 119.1
    1-bromopropane 1134.02
    gamma-valerolactone 2958.87
    n-decanol 108.67
    triethyl phosphate 203.38
    4-methyl-2-pentanol 355.08
    propionitrile 1555.95
    vinylene carbonate 977.23
    1,1,2-trichlorotrifluoroethane 1513.1
    DMS 605.38
    cumene 118.05
    2-octanol 131.01
    2-hexanone 1177.58
    octyl acetate 246.61
    limonene 161.69
    1,2-dimethoxyethane 1859.15
    ethyl orthosilicate 190.13
    tributyl phosphate 182.92
    diacetone alcohol 1178.09
    N,N-dimethylaniline 303.24
    acrylonitrile 1865.64
    aniline 788.98
    1,3-propanediol 1185.06
    bromobenzene 769.24
    dibromomethane 1670.87
    1,1,2,2-tetrachloroethane 2842.35
    2-methyl-cyclohexyl acetate 378.59
    tetrabutyl urea 230.34
    diisobutyl methanol 145.26
    2-phenylethanol 412.49
    styrene 314.07
    dioctyl adipate 303.17
    dimethyl sulfate 942.48
    ethyl butyrate 620.61
    methyl lactate 616.43
    butyl lactate 403.32
    diethyl carbonate 377.67
    propanediol butyl ether 536.44
    triethyl orthoformate 330.02
    p-tert-butyltoluene 95.24
    methyl 4-tert-butylbenzoate 375.81
    morpholine 3183.04
    tert-butylamine 719.1
    n-dodecanol 76.81
    dimethoxymethane 2656.35
    ethylene carbonate 824.0
    cyrene 412.64
    2-ethoxyethyl acetate 908.32
    2-ethylhexyl acetate 625.17
    1,2,4-trichlorobenzene 711.58
    4-methylpyridine 1845.07
    dibutyl ether 333.33
    2,6-dimethyl-4-heptanol 145.26
    DEF 2670.36
    dimethyl isosorbide 793.07
    tetrachloroethylene 1352.2
    eugenol 377.58
    triacetin 586.56
    span 80 390.52
    1,4-butanediol 330.9
    1,1-dichloroethane 2219.73
    2-methyl-1-pentanol 628.34
    methyl formate 1246.58
    2-methyl-1-butanol 1111.35
    n-decane 10.88
    butyronitrile 1568.17
    3,7-dimethyl-1-octanol 216.4
    1-chlorooctane 107.71
    1-chlorotetradecane 36.78
    n-nonane 9.13
    undecane 8.14
    tert-butylcyclohexane 27.05
    cyclooctane 8.72
    cyclopentanol 958.29
    tetrahydropyran 2334.78
    tert-amyl methyl ether 983.42
    2,5,8-trioxanonane 925.89
    1-hexene 257.32
    2-isopropoxyethanol 872.42
    2,2,2-trifluoroethanol 315.1
    methyl butyrate 1429.68

    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