Mansumbinoic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    102848-63-5

    Molecular formula
    C22H34O2

    SMILES
    CC(=C)[C@H]1CC[C@@]2([C@@H]([C@H]1CCC(=O)OC)CC[C@H]3[C@]2(CC=C3)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 79.42%
    Sweet 47.32%
    Amber 41.35%
    Dry 39.83%
    Sandalwood 38.98%
    Floral 37.67%
    Balsamic 36.35%
    Green 36.13%
    Powdery 35.93%
    Fruity 34.93%

     

    Flavor
    Woody 54.75%
    Wood 35.93%
    Herbal 35.85%
    Fruity 34.7%
    Sweet 31.93%
    Herb 31.49%
    Balsam 28.06%
    Fruit 26.21%
    Rose 24.41%
    Balsamic 24.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    7.59 (neutral)

    Molecular weight
    330.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    401°C

    Flash point

    • 191.72 ˚C est.

  • Synonyms

    • Mansumbinoic acid
    • 102848-63-5
    • 1H-Benz(e)indene-6-propanoic acid, 3a,4,5,5a,6,7,8,9,9a,9b-decahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-, (3aR-(3aalpha,5abeta,6beta,7alpha,9aalpha,9bbeta))-
    • RefChem:925301
    • methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-dimethyl-7-prop-1-en-2-yl-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
    • DTXSID70908089
    • methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-dimethyl-7-(prop-1-en-2-yl)-3a,4,5,5a,6,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
    • Methyl 3-[9a,9b-dimethyl-7-(prop-1-en-2-yl)-3a,4,5,5a,6,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
    • 102848-63-5

  • Applications

    Mansumbinoic acid (CAS 102848-63-5) is a carboxylic acid that functions as a useful building block in organic synthesis, commonly used as an intermediate in pharmaceutical and agrochemical development. It can also serve as a precursor for specialty polymers or polyester synthesis. In formulations and manufacturing, it may act as a chelating agent or stabilizer, and can serve as a processing aid such as a solvent or co-solvent in certain industrial processes. Additionally, it may be employed as an additive in coatings and inks for specific formulation goals, depending on the system.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 191.93
    methanol 93.84
    isopropanol 228.58
    water 0.18
    ethyl acetate 636.58
    n-propanol 286.92
    acetone 447.08
    n-butanol 268.66
    acetonitrile 182.49
    DMF 693.55
    toluene 1100.73
    isobutanol 217.03
    1,4-dioxane 877.05
    methyl acetate 310.47
    THF 1532.72
    2-butanone 459.49
    n-pentanol 95.39
    sec-butanol 181.7
    n-hexane 12.97
    ethylene glycol 19.86
    NMP 478.44
    cyclohexane 80.07
    DMSO 253.57
    n-butyl acetate 260.25
    n-octanol 30.2
    chloroform 1691.02
    n-propyl acetate 198.98
    acetic acid 154.73
    dichloromethane 1160.49
    cyclohexanone 726.26
    propylene glycol 44.52
    isopropyl acetate 534.73
    DMAc 560.27
    2-ethoxyethanol 203.87
    isopentanol 244.11
    n-heptane 7.77
    ethyl formate 159.24
    1,2-dichloroethane 753.05
    n-hexanol 124.69
    2-methoxyethanol 409.93
    isobutyl acetate 149.94
    tetrachloromethane 208.25
    n-pentyl acetate 149.3
    transcutol 1082.33
    n-heptanol 53.34
    ethylbenzene 189.29
    MIBK 351.82
    2-propoxyethanol 376.54
    tert-butanol 252.83
    MTBE 417.8
    2-butoxyethanol 181.4
    propionic acid 155.69
    o-xylene 361.11
    formic acid 46.13
    diethyl ether 587.41
    m-xylene 528.55
    p-xylene 188.56
    chlorobenzene 628.76
    dimethyl carbonate 323.49
    n-octane 2.03
    formamide 102.51
    cyclopentanone 812.87
    2-pentanone 528.26
    anisole 446.76
    cyclopentyl methyl ether 764.24
    gamma-butyrolactone 688.72
    1-methoxy-2-propanol 496.64
    pyridine 906.0
    3-pentanone 434.06
    furfural 607.81
    n-dodecane 1.4
    diethylene glycol 208.69
    diisopropyl ether 171.48
    tert-amyl alcohol 175.0
    acetylacetone 686.24
    n-hexadecane 1.83
    acetophenone 309.14
    methyl propionate 511.0
    isopentyl acetate 283.54
    trichloroethylene 1560.66
    n-nonanol 34.41
    cyclohexanol 310.5
    benzyl alcohol 238.32
    2-ethylhexanol 72.07
    isooctanol 50.69
    dipropyl ether 144.9
    1,2-dichlorobenzene 530.86
    ethyl lactate 103.04
    propylene carbonate 376.76
    n-methylformamide 235.77
    2-pentanol 189.35
    n-pentane 30.18
    1-propoxy-2-propanol 277.58
    1-methoxy-2-propyl acetate 549.18
    2-(2-methoxypropoxy) propanol 196.03
    mesitylene 236.11
    ε-caprolactone 589.66
    p-cymene 82.39
    epichlorohydrin 1039.38
    1,1,1-trichloroethane 755.09
    2-aminoethanol 72.7
    morpholine-4-carbaldehyde 681.39
    sulfolane 578.63
    2,2,4-trimethylpentane 14.29
    2-methyltetrahydrofuran 784.95
    n-hexyl acetate 153.5
    isooctane 13.78
    2-(2-butoxyethoxy)ethanol 270.64
    sec-butyl acetate 206.57
    tert-butyl acetate 537.26
    decalin 20.97
    glycerin 83.87
    diglyme 627.24
    acrylic acid 131.78
    isopropyl myristate 56.8
    n-butyric acid 337.75
    acetyl acetate 435.79
    di(2-ethylhexyl) phthalate 81.31
    ethyl propionate 257.85
    nitromethane 339.19
    1,2-diethoxyethane 312.94
    benzonitrile 302.73
    trioctyl phosphate 44.37
    1-bromopropane 480.86
    gamma-valerolactone 1076.56
    n-decanol 22.21
    triethyl phosphate 104.45
    4-methyl-2-pentanol 124.98
    propionitrile 270.89
    vinylene carbonate 372.6
    1,1,2-trichlorotrifluoroethane 501.77
    DMS 267.78
    cumene 98.66
    2-octanol 28.24
    2-hexanone 158.63
    octyl acetate 67.27
    limonene 97.75
    1,2-dimethoxyethane 411.44
    ethyl orthosilicate 104.11
    tributyl phosphate 58.77
    diacetone alcohol 362.1
    N,N-dimethylaniline 228.63
    acrylonitrile 297.32
    aniline 723.3
    1,3-propanediol 178.93
    bromobenzene 725.06
    dibromomethane 729.42
    1,1,2,2-tetrachloroethane 1206.31
    2-methyl-cyclohexyl acetate 165.81
    tetrabutyl urea 72.53
    diisobutyl methanol 57.56
    2-phenylethanol 247.21
    styrene 260.64
    dioctyl adipate 106.42
    dimethyl sulfate 374.92
    ethyl butyrate 204.74
    methyl lactate 209.95
    butyl lactate 127.58
    diethyl carbonate 145.04
    propanediol butyl ether 122.64
    triethyl orthoformate 171.32
    p-tert-butyltoluene 86.49
    methyl 4-tert-butylbenzoate 235.04
    morpholine 1090.69
    tert-butylamine 174.24
    n-dodecanol 15.06
    dimethoxymethane 826.16
    ethylene carbonate 351.32
    cyrene 187.47
    2-ethoxyethyl acetate 331.7
    2-ethylhexyl acetate 213.1
    1,2,4-trichlorobenzene 597.95
    4-methylpyridine 914.97
    dibutyl ether 57.31
    2,6-dimethyl-4-heptanol 57.56
    DEF 470.74
    dimethyl isosorbide 390.18
    tetrachloroethylene 698.53
    eugenol 199.22
    triacetin 236.15
    span 80 142.86
    1,4-butanediol 41.16
    1,1-dichloroethane 764.96
    2-methyl-1-pentanol 100.83
    methyl formate 157.0
    2-methyl-1-butanol 208.39
    n-decane 3.05
    butyronitrile 249.84
    3,7-dimethyl-1-octanol 50.57
    1-chlorooctane 24.57
    1-chlorotetradecane 7.76
    n-nonane 2.54
    undecane 1.99
    tert-butylcyclohexane 15.65
    cyclooctane 21.59
    cyclopentanol 257.64
    tetrahydropyran 1043.93
    tert-amyl methyl ether 257.16
    2,5,8-trioxanonane 351.17
    1-hexene 58.77
    2-isopropoxyethanol 152.6
    2,2,2-trifluoroethanol 96.96
    methyl butyrate 249.12

    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