Dipentyl succinate

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  • Identifiers

    CAS number
    645-69-2

    Molecular formula
    C14H26O4

    SMILES
    CCCCCOC(=O)CCC(=O)OCCCCC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 85.46%
    Winey 61.84%
    Oily 53.29%
    Fatty 47.13%
    Apple 39.82%
    Herbal 36.34%
    Fermented 34.58%
    Sweet 32.56%
    Pineapple 29.18%
    Buttery 28.87%

     

    Flavor
    Fruity 84.15%
    Green 61.22%
    Apple 58.39%
    Pineapple 57.97%
    Sweet 56.81%
    Tropical 47.49%
    Waxy 47.13%
    Fruit 45.78%
    Pear 44.75%
    Wine 41.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.06 (neutral)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 149.57 ˚C est.

  • Synonyms

    • Dipentyl succinate
    • 645-69-2
    • dipentyl butanedioate
    • Diamyl succinate
    • Butanedioic acid, dipentyl ester
    • Succinic acid, dipentyl ester
    • AI3-03426
    • EINECS 211-452-5
    • Butanedioic acid, dipenyl ester
    • DTXSID30214754
    • NSC 1501
    • NSC-1501
    • Butanedioic acid dipentyl ester
    • Bernsteinsaure-n-amylester
    • 2E33CP3MKW
    • SCHEMBL19556
    • DTXCID60137245
    • NSC1501
    • AKOS024333529
    • Butanedioic acid, 1,4-dipentyl ester
    • NS00035718
    • E79254
    • 211-452-5

  • Applications

    Dipentyl succinate (CAS 645-69-2) is primarily used as a plasticizer for polymers and coatings to impart flexibility to materials such as PVC and polyesters. It is also used as a fragrance ingredient and fixative in perfumery and consumer products. As a processing aid and solvent, it can serve in coatings, inks, and adhesive formulations to improve processing and resin compatibility. In cosmetic and personal care applications, it may function as a solvent or carrier in formulations. Additionally, it can serve as a chemical intermediate for the synthesis of other succinate esters in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 251.62
    methanol 362.81
    isopropanol 189.34
    water 0.32
    ethyl acetate 900.86
    n-propanol 201.48
    acetone 1033.94
    n-butanol 181.4
    acetonitrile 820.74
    DMF 1931.61
    toluene 455.23
    isobutanol 165.22
    1,4-dioxane 707.55
    methyl acetate 887.79
    THF 1338.73
    2-butanone 871.82
    n-pentanol 167.3
    sec-butanol 200.63
    n-hexane 46.53
    ethylene glycol 35.87
    NMP 2547.57
    cyclohexane 79.69
    DMSO 2274.76
    n-butyl acetate 648.36
    n-octanol 86.11
    chloroform 2361.47
    n-propyl acetate 678.65
    acetic acid 740.54
    dichloromethane 2908.08
    cyclohexanone 1406.13
    propylene glycol 53.82
    isopropyl acetate 625.74
    DMAc 2666.99
    2-ethoxyethanol 446.13
    isopentanol 218.02
    n-heptane 17.44
    ethyl formate 442.96
    1,2-dichloroethane 1978.47
    n-hexanol 128.21
    2-methoxyethanol 578.6
    isobutyl acetate 408.14
    tetrachloromethane 325.12
    n-pentyl acetate 385.74
    transcutol 1688.32
    n-heptanol 73.48
    ethylbenzene 256.27
    MIBK 428.75
    2-propoxyethanol 377.84
    tert-butanol 312.5
    MTBE 531.22
    2-butoxyethanol 253.82
    propionic acid 438.54
    o-xylene 332.68
    formic acid 225.24
    diethyl ether 431.29
    m-xylene 265.92
    p-xylene 394.22
    chlorobenzene 850.48
    dimethyl carbonate 343.84
    n-octane 8.9
    formamide 545.48
    cyclopentanone 1620.06
    2-pentanone 649.27
    anisole 619.99
    cyclopentyl methyl ether 704.98
    gamma-butyrolactone 2061.14
    1-methoxy-2-propanol 423.55
    pyridine 1231.21
    3-pentanone 631.41
    furfural 1798.8
    n-dodecane 7.33
    diethylene glycol 230.3
    diisopropyl ether 153.42
    tert-amyl alcohol 323.43
    acetylacetone 1155.09
    n-hexadecane 8.97
    acetophenone 792.11
    methyl propionate 669.47
    isopentyl acetate 611.14
    trichloroethylene 3561.5
    n-nonanol 84.93
    cyclohexanol 298.43
    benzyl alcohol 369.33
    2-ethylhexanol 118.93
    isooctanol 73.62
    dipropyl ether 196.34
    1,2-dichlorobenzene 947.87
    ethyl lactate 236.32
    propylene carbonate 1097.78
    n-methylformamide 701.32
    2-pentanol 149.0
    n-pentane 25.87
    1-propoxy-2-propanol 294.85
    1-methoxy-2-propyl acetate 608.96
    2-(2-methoxypropoxy) propanol 385.53
    mesitylene 160.85
    ε-caprolactone 1312.21
    p-cymene 125.78
    epichlorohydrin 2154.42
    1,1,1-trichloroethane 1628.54
    2-aminoethanol 105.34
    morpholine-4-carbaldehyde 1606.35
    sulfolane 2697.29
    2,2,4-trimethylpentane 29.16
    2-methyltetrahydrofuran 1045.36
    n-hexyl acetate 463.8
    isooctane 15.35
    2-(2-butoxyethoxy)ethanol 444.57
    sec-butyl acetate 504.17
    tert-butyl acetate 668.67
    decalin 65.61
    glycerin 108.11
    diglyme 1038.59
    acrylic acid 421.49
    isopropyl myristate 152.44
    n-butyric acid 625.52
    acetyl acetate 821.53
    di(2-ethylhexyl) phthalate 168.7
    ethyl propionate 627.38
    nitromethane 2053.22
    1,2-diethoxyethane 588.67
    benzonitrile 630.59
    trioctyl phosphate 96.3
    1-bromopropane 739.3
    gamma-valerolactone 2089.61
    n-decanol 56.23
    triethyl phosphate 274.13
    4-methyl-2-pentanol 107.92
    propionitrile 481.86
    vinylene carbonate 969.44
    1,1,2-trichlorotrifluoroethane 1367.23
    DMS 539.32
    cumene 166.06
    2-octanol 61.5
    2-hexanone 545.35
    octyl acetate 184.65
    limonene 189.07
    1,2-dimethoxyethane 1057.41
    ethyl orthosilicate 248.19
    tributyl phosphate 176.79
    diacetone alcohol 501.35
    N,N-dimethylaniline 431.03
    acrylonitrile 696.5
    aniline 474.62
    1,3-propanediol 179.1
    bromobenzene 996.52
    dibromomethane 1642.43
    1,1,2,2-tetrachloroethane 2826.67
    2-methyl-cyclohexyl acetate 403.66
    tetrabutyl urea 226.38
    diisobutyl methanol 83.54
    2-phenylethanol 260.35
    styrene 380.25
    dioctyl adipate 301.93
    dimethyl sulfate 833.36
    ethyl butyrate 477.62
    methyl lactate 270.64
    butyl lactate 282.51
    diethyl carbonate 369.36
    propanediol butyl ether 234.07
    triethyl orthoformate 328.36
    p-tert-butyltoluene 115.3
    methyl 4-tert-butylbenzoate 428.69
    morpholine 971.51
    tert-butylamine 196.73
    n-dodecanol 40.75
    dimethoxymethane 704.45
    ethylene carbonate 771.68
    cyrene 418.11
    2-ethoxyethyl acetate 601.47
    2-ethylhexyl acetate 500.71
    1,2,4-trichlorobenzene 1091.94
    4-methylpyridine 1385.9
    dibutyl ether 212.0
    2,6-dimethyl-4-heptanol 83.54
    DEF 1158.17
    dimethyl isosorbide 787.89
    tetrachloroethylene 1716.86
    eugenol 365.95
    triacetin 591.12
    span 80 285.01
    1,4-butanediol 89.97
    1,1-dichloroethane 1558.73
    2-methyl-1-pentanol 212.64
    methyl formate 505.09
    2-methyl-1-butanol 205.28
    n-decane 13.64
    butyronitrile 436.8
    3,7-dimethyl-1-octanol 117.45
    1-chlorooctane 95.46
    1-chlorotetradecane 33.46
    n-nonane 12.52
    undecane 9.39
    tert-butylcyclohexane 49.49
    cyclooctane 22.69
    cyclopentanol 340.63
    tetrahydropyran 704.15
    tert-amyl methyl ether 456.34
    2,5,8-trioxanonane 677.25
    1-hexene 176.24
    2-isopropoxyethanol 333.46
    2,2,2-trifluoroethanol 326.57
    methyl butyrate 915.3

    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