Pimelic Acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    111-16-0

    Molecular formula
    C7H12O4

    SMILES
    C(CCC(=O)O)CCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sour 55.14%
    Odorless 44.44%
    Cheesy 42.91%
    Fatty 30.34%
    Buttery 26.3%
    Milky 25.92%
    Dairy 25.9%
    Savory 24.6%
    Creamy 23.97%
    Sweaty 22.89%

     

    Flavor
    Odorless 62.1%
    Sour 54.36%
    Cheese 41.83%
    Acidic 39.57%
    Sweat 38.85%
    Rancid 38.11%
    Fatty 25.54%
    Mild 25.46%
    Cheesy 24.65%
    Yeast 24.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    6.53 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 106 °C
    • 103 - 106 °C

    Boiling point

    • 342 °C
    • 342.00 °C. @ 760.00 mm Hg

    Flash point

    • 163.72 ˚C est.

    Solubility expt.

    • 50000 mg/L (at 20 °C)
    • 50.0 mg/mL

  • Synonyms

    • pimelic acid
    • Heptanedioic acid
    • 111-16-0
    • 1,5-Pentanedicarboxylic acid
    • Pileric acid
    • Heptandioic acid
    • Heptane-1,7-dioic acid
    • pimelate
    • 6-carboxyhexanoate
    • 6-carboxyhexanoic acid
    • 1,7-Heptanedioic acid
    • EINECS 203-840-8
    • BZQ96WX25F
    • NSC 30112
    • BRN 1210024
    • DTXSID5021598
    • CHEBI:30531
    • MFCD00004425
    • NSC-30112
    • PIMELIC ACID [MI]
    • DTXCID001598
    • 4-02-00-02003 (Beilstein Handbook Reference)
    • ADIPIC ACID IMPURITY C [EP IMPURITY]
    • Pimelicacid
    • PML
    • ADIPIC ACID IMPURITY C (EP IMPURITY)
    • UNII-BZQ96WX25F
    • Heptandioate
    • Pilerate
    • Pentane-1,5-dicarboxylic acid
    • 1,7-Heptanedioate
    • 1,7heptanedioic acid
    • Heptane-1,7-dioate
    • Heptane1,7dioic acid
    • Pimelic acid, 98%
    • WLN: QV5VQ
    • bmse000354
    • 1,5pentanedicarboxylic acid
    • SCHEMBL6044
    • CHEMBL1235351
    • HY-Y1139
    • NSC30112
    • Tox21_201171
    • LMFA01170051
    • STL301831
    • AKOS009031234
    • CS-W019990
    • DB01856
    • FP03721
    • NCGC00248944-01
    • NCGC00258723-01
    • AS-13133
    • BP-21136
    • CAS-111-16-0
    • SY014051
    • DB-030257
    • NS00003808
    • P0435
    • S3145
    • EN300-21319
    • Pimelic acid, Vetec(TM) reagent grade, 98%
    • C02656
    • D70876
    • Q414420
    • F0001-0234
    • Z104495338
    • 203-840-8
    • 6GT

  • Applications

    Pimelic acid (CAS 111-16-0) is primarily used as an aliphatic diacid building block for polymer synthesis, serving as a precursor for nylon-type polyamides and polyesters with intermediate chain lengths. It is employed in the production of specialty polymers and copolymers with tailored properties, including high-temperature and chemical resistance. In addition, pimelic acid can be used as a chemical intermediate to prepare functionalized monomers and crosslinkable derivatives for coatings, inks, and adhesives. It also serves as a precursor in organic synthesis for various pharmaceutical and agrochemical intermediates under controlled conditions, and may be evaluated in research and development for advanced materials used in electronics and related fields. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 371.97
    methanol 572.95
    isopropanol 207.32
    water 65.67
    ethyl acetate 82.12
    n-propanol 189.93
    acetone 286.26
    n-butanol 143.15
    acetonitrile 55.06
    DMF 760.25
    toluene 11.56
    isobutanol 99.2
    1,4-dioxane 178.93
    methyl acetate 68.38
    THF 446.5
    2-butanone 93.12
    n-pentanol 92.66
    sec-butanol 102.38
    n-hexane 4.18
    ethylene glycol 223.91
    NMP 459.11
    cyclohexane 2.45
    DMSO 609.9
    n-butyl acetate 45.71
    n-octanol 51.9
    chloroform 15.14
    n-propyl acetate 45.59
    acetic acid 322.75
    dichloromethane 23.82
    cyclohexanone 131.64
    propylene glycol 228.95
    isopropyl acetate 57.98
    DMAc 435.29
    2-ethoxyethanol 250.65
    isopentanol 88.79
    n-heptane 4.56
    ethyl formate 103.82
    1,2-dichloroethane 31.58
    n-hexanol 68.45
    2-methoxyethanol 539.41
    isobutyl acetate 23.15
    tetrachloromethane 2.7
    n-pentyl acetate 50.0
    transcutol 298.37
    n-heptanol 49.93
    ethylbenzene 9.99
    MIBK 55.44
    2-propoxyethanol 203.14
    tert-butanol 203.45
    MTBE 41.19
    2-butoxyethanol 129.06
    propionic acid 155.65
    o-xylene 15.05
    formic acid 351.14
    diethyl ether 40.07
    m-xylene 15.83
    p-xylene 12.19
    chlorobenzene 11.53
    dimethyl carbonate 52.97
    n-octane 3.61
    formamide 449.02
    cyclopentanone 245.73
    2-pentanone 103.69
    anisole 32.96
    cyclopentyl methyl ether 88.8
    gamma-butyrolactone 359.14
    1-methoxy-2-propanol 365.15
    pyridine 66.99
    3-pentanone 48.66
    furfural 225.47
    n-dodecane 3.86
    diethylene glycol 224.72
    diisopropyl ether 13.97
    tert-amyl alcohol 103.22
    acetylacetone 129.99
    n-hexadecane 4.04
    acetophenone 42.32
    methyl propionate 88.18
    isopentyl acetate 38.79
    trichloroethylene 34.54
    n-nonanol 48.9
    cyclohexanol 77.82
    benzyl alcohol 53.64
    2-ethylhexanol 29.67
    isooctanol 33.93
    dipropyl ether 35.23
    1,2-dichlorobenzene 13.08
    ethyl lactate 56.41
    propylene carbonate 131.17
    n-methylformamide 420.02
    2-pentanol 74.55
    n-pentane 3.67
    1-propoxy-2-propanol 131.2
    1-methoxy-2-propyl acetate 72.28
    2-(2-methoxypropoxy) propanol 101.63
    mesitylene 12.79
    ε-caprolactone 141.9
    p-cymene 10.11
    epichlorohydrin 206.37
    1,1,1-trichloroethane 12.77
    2-aminoethanol 310.59
    morpholine-4-carbaldehyde 369.07
    sulfolane 399.36
    2,2,4-trimethylpentane 2.26
    2-methyltetrahydrofuran 140.65
    n-hexyl acetate 66.37
    isooctane 2.27
    2-(2-butoxyethoxy)ethanol 168.69
    sec-butyl acetate 26.87
    tert-butyl acetate 59.4
    decalin 3.18
    glycerin 326.09
    diglyme 209.07
    acrylic acid 141.91
    isopropyl myristate 29.72
    n-butyric acid 172.84
    acetyl acetate 40.8
    di(2-ethylhexyl) phthalate 33.17
    ethyl propionate 51.14
    nitromethane 338.0
    1,2-diethoxyethane 70.25
    benzonitrile 37.98
    trioctyl phosphate 30.8
    1-bromopropane 15.73
    gamma-valerolactone 387.87
    n-decanol 39.1
    triethyl phosphate 21.17
    4-methyl-2-pentanol 40.14
    propionitrile 47.81
    vinylene carbonate 97.54
    1,1,2-trichlorotrifluoroethane 130.67
    DMS 47.38
    cumene 9.76
    2-octanol 35.87
    2-hexanone 46.96
    octyl acetate 41.78
    limonene 13.08
    1,2-dimethoxyethane 226.98
    ethyl orthosilicate 20.14
    tributyl phosphate 32.28
    diacetone alcohol 140.49
    N,N-dimethylaniline 34.27
    acrylonitrile 76.81
    aniline 36.71
    1,3-propanediol 330.39
    bromobenzene 7.79
    dibromomethane 14.88
    1,1,2,2-tetrachloroethane 34.03
    2-methyl-cyclohexyl acetate 32.46
    tetrabutyl urea 56.28
    diisobutyl methanol 24.23
    2-phenylethanol 44.0
    styrene 9.93
    dioctyl adipate 42.13
    dimethyl sulfate 94.5
    ethyl butyrate 38.31
    methyl lactate 118.49
    butyl lactate 63.47
    diethyl carbonate 21.73
    propanediol butyl ether 125.83
    triethyl orthoformate 29.89
    p-tert-butyltoluene 10.75
    methyl 4-tert-butylbenzoate 69.44
    morpholine 262.8
    tert-butylamine 70.47
    n-dodecanol 30.55
    dimethoxymethane 286.26
    ethylene carbonate 84.99
    cyrene 107.38
    2-ethoxyethyl acetate 64.96
    2-ethylhexyl acetate 25.79
    1,2,4-trichlorobenzene 15.4
    4-methylpyridine 69.66
    dibutyl ether 34.73
    2,6-dimethyl-4-heptanol 24.23
    DEF 147.45
    dimethyl isosorbide 158.97
    tetrachloroethylene 19.22
    eugenol 77.37
    triacetin 58.74
    span 80 108.33
    1,4-butanediol 128.16
    1,1-dichloroethane 20.71
    2-methyl-1-pentanol 49.54
    methyl formate 262.89
    2-methyl-1-butanol 70.88
    n-decane 5.33
    butyronitrile 58.82
    3,7-dimethyl-1-octanol 36.3
    1-chlorooctane 14.8
    1-chlorotetradecane 8.08
    n-nonane 4.84
    undecane 4.44
    tert-butylcyclohexane 3.29
    cyclooctane 2.02
    cyclopentanol 151.45
    tetrahydropyran 90.83
    tert-amyl methyl ether 37.26
    2,5,8-trioxanonane 183.05
    1-hexene 14.03
    2-isopropoxyethanol 114.9
    2,2,2-trifluoroethanol 105.94
    methyl butyrate 72.16

    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