3-Hydroxysebacic acid

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  • Identifiers

    CAS number
    73141-46-5

    Molecular formula
    C10H18O5

    SMILES
    C(CCCC(=O)O)CCC(CC(=O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 41.48%
    Fatty 36.86%
    Cheesy 31.97%
    Sour 30.82%
    Savory 30.64%
    Fruity 30.21%
    Milky 28.71%
    Buttery 27.33%
    Meaty 26.93%
    Dairy 26.57%

     

    Flavor
    Odorless 60.53%
    Sour 38.29%
    Mild 34.66%
    Cheese 32.78%
    Fatty 32.43%
    Acidic 27.62%
    Sweat 26.59%
    Rancid 25.0%
    Bland 24.04%
    Waxy 23.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    5.75 (weak acid)

    Molecular weight
    218.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    383°C

    Flash point

    • 207.18 ˚C est.

  • Synonyms

    • 3-Hydroxysebacic acid
    • 73141-46-5
    • 3-hydroxy-sebacic acid
    • CHEBI:89182
    • RefChem:502610
    • 998-883-9
    • 3-Hydroxydecanedioic acid
    • 3-Hydroxy Sebacic Acid
    • 3-hydroxy-decanedioic acid
    • 68812-93-1
    • 3-Hydroxysebacate
    • 6X0JEZ4U1Y
    • Hydroxysebacic acid
    • 3-hydroxyse-bacic acid
    • 3-Hydroxydecanedioicacid
    • Decanedioic acid, hydroxy-
    • UNII-6X0JEZ4U1Y
    • orb1983456
    • orb1986727
    • SCHEMBL2269706
    • DTXSID80867719
    • LMFA01170092
    • AKOS028114750
    • PD199251
    • HY-113451
    • CS-0059596
    • NS00124145
    • G91061
    • Q27161368
    • 68812-93-1

  • Applications

    3-Hydroxysebacic acid, CAS 73141-46-5, is a hydroxy-dicarboxylic acid used as a monomer or intermediate in the synthesis of aliphatic polyesters and polyurethanes, contributing to flexibility and network integrity in polymers. It also serves as a functional building block for coatings and inks based on bio-based resins, enabling crosslinking through ester and polycondensation reactions. Additionally, it can act as a precursor for industrial lubricants and lubricant additives. It is also considered as a building block for biodegradable or bio-based polymers for packaging and elastomeric applications. The use of it depends on regulations and formulation limits in different regions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 69.27
    methanol 186.78
    isopropanol 28.16
    water 5.25
    ethyl acetate 7.39
    n-propanol 32.76
    acetone 27.49
    n-butanol 25.19
    acetonitrile 2.8
    DMF 350.75
    toluene 1.24
    isobutanol 20.96
    1,4-dioxane 14.62
    methyl acetate 5.08
    THF 126.13
    2-butanone 11.38
    n-pentanol 20.03
    sec-butanol 16.56
    n-hexane 0.84
    ethylene glycol 96.29
    NMP 262.05
    cyclohexane 0.53
    DMSO 691.85
    n-butyl acetate 8.5
    n-octanol 8.22
    chloroform 1.23
    n-propyl acetate 7.77
    acetic acid 77.03
    dichloromethane 1.14
    cyclohexanone 35.9
    propylene glycol 119.21
    isopropyl acetate 9.48
    DMAc 238.06
    2-ethoxyethanol 100.79
    isopentanol 28.22
    n-heptane 0.57
    ethyl formate 10.39
    1,2-dichloroethane 2.34
    n-hexanol 17.5
    2-methoxyethanol 226.4
    isobutyl acetate 5.37
    tetrachloromethane 0.68
    n-pentyl acetate 5.91
    transcutol 155.26
    n-heptanol 9.75
    ethylbenzene 2.06
    MIBK 20.87
    2-propoxyethanol 81.1
    tert-butanol 54.39
    MTBE 7.38
    2-butoxyethanol 35.47
    propionic acid 35.48
    o-xylene 3.27
    formic acid 121.59
    diethyl ether 3.55
    m-xylene 3.09
    p-xylene 2.41
    chlorobenzene 1.13
    dimethyl carbonate 10.99
    n-octane 0.28
    formamide 126.77
    cyclopentanone 69.38
    2-pentanone 18.4
    anisole 7.88
    cyclopentyl methyl ether 27.49
    gamma-butyrolactone 82.18
    1-methoxy-2-propanol 143.11
    pyridine 6.31
    3-pentanone 8.62
    furfural 58.04
    n-dodecane 0.23
    diethylene glycol 108.52
    diisopropyl ether 2.85
    tert-amyl alcohol 33.34
    acetylacetone 37.05
    n-hexadecane 0.25
    acetophenone 14.75
    methyl propionate 12.77
    isopentyl acetate 10.94
    trichloroethylene 4.01
    n-nonanol 7.9
    cyclohexanol 21.35
    benzyl alcohol 15.75
    2-ethylhexanol 8.59
    isooctanol 8.19
    dipropyl ether 5.73
    1,2-dichlorobenzene 2.15
    ethyl lactate 19.08
    propylene carbonate 30.53
    n-methylformamide 95.8
    2-pentanol 13.92
    n-pentane 0.43
    1-propoxy-2-propanol 49.45
    1-methoxy-2-propyl acetate 24.92
    2-(2-methoxypropoxy) propanol 53.51
    mesitylene 3.09
    ε-caprolactone 34.94
    p-cymene 2.62
    epichlorohydrin 35.78
    1,1,1-trichloroethane 1.5
    2-aminoethanol 139.7
    morpholine-4-carbaldehyde 150.48
    sulfolane 225.88
    2,2,4-trimethylpentane 0.57
    2-methyltetrahydrofuran 28.94
    n-hexyl acetate 10.79
    isooctane 0.56
    2-(2-butoxyethoxy)ethanol 64.42
    sec-butyl acetate 6.08
    tert-butyl acetate 19.43
    decalin 0.8
    glycerin 235.0
    diglyme 89.98
    acrylic acid 39.13
    isopropyl myristate 4.7
    n-butyric acid 38.36
    acetyl acetate 6.81
    di(2-ethylhexyl) phthalate 9.86
    ethyl propionate 8.5
    nitromethane 63.67
    1,2-diethoxyethane 10.49
    benzonitrile 5.75
    trioctyl phosphate 7.42
    1-bromopropane 1.01
    gamma-valerolactone 120.57
    n-decanol 5.6
    triethyl phosphate 8.21
    4-methyl-2-pentanol 14.1
    propionitrile 3.73
    vinylene carbonate 19.78
    1,1,2-trichlorotrifluoroethane 67.58
    DMS 10.55
    cumene 2.63
    2-octanol 4.99
    2-hexanone 11.86
    octyl acetate 6.29
    limonene 3.8
    1,2-dimethoxyethane 84.2
    ethyl orthosilicate 7.66
    tributyl phosphate 8.22
    diacetone alcohol 77.43
    N,N-dimethylaniline 12.56
    acrylonitrile 6.87
    aniline 5.69
    1,3-propanediol 131.54
    bromobenzene 0.81
    dibromomethane 0.89
    1,1,2,2-tetrachloroethane 5.34
    2-methyl-cyclohexyl acetate 12.18
    tetrabutyl urea 15.59
    diisobutyl methanol 6.65
    2-phenylethanol 12.99
    styrene 1.64
    dioctyl adipate 10.87
    dimethyl sulfate 42.63
    ethyl butyrate 8.16
    methyl lactate 42.63
    butyl lactate 17.66
    diethyl carbonate 5.16
    propanediol butyl ether 56.21
    triethyl orthoformate 8.16
    p-tert-butyltoluene 2.82
    methyl 4-tert-butylbenzoate 25.1
    morpholine 39.67
    tert-butylamine 15.82
    n-dodecanol 3.82
    dimethoxymethane 74.6
    ethylene carbonate 15.34
    cyrene 66.08
    2-ethoxyethyl acetate 10.2
    2-ethylhexyl acetate 6.8
    1,2,4-trichlorobenzene 3.0
    4-methylpyridine 8.17
    dibutyl ether 3.92
    2,6-dimethyl-4-heptanol 6.65
    DEF 39.13
    dimethyl isosorbide 81.86
    tetrachloroethylene 4.13
    eugenol 29.5
    triacetin 19.92
    span 80 41.33
    1,4-butanediol 50.13
    1,1-dichloroethane 0.95
    2-methyl-1-pentanol 18.32
    methyl formate 41.73
    2-methyl-1-butanol 21.72
    n-decane 0.4
    butyronitrile 4.82
    3,7-dimethyl-1-octanol 8.83
    1-chlorooctane 1.58
    1-chlorotetradecane 0.68
    n-nonane 0.37
    undecane 0.29
    tert-butylcyclohexane 0.83
    cyclooctane 0.39
    cyclopentanol 40.66
    tetrahydropyran 10.02
    tert-amyl methyl ether 9.85
    2,5,8-trioxanonane 80.3
    1-hexene 2.24
    2-isopropoxyethanol 48.88
    2,2,2-trifluoroethanol 25.99
    methyl butyrate 14.29

    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