Dimethyl brassylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1472-87-3

    Molecular formula
    C15H28O4

    SMILES
    COC(=O)CCCCCCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 63.91%
    Fatty 62.59%
    Oily 55.5%
    Winey 50.67%
    Waxy 47.49%
    Sweet 37.15%
    Creamy 32.37%
    Buttery 32.29%
    Ethereal 31.34%
    Cognac 30.94%

     

    Flavor
    Waxy 75.69%
    Fruity 68.15%
    Sweet 57.38%
    Oily 50.68%
    Soapy 46.94%
    Creamy 41.87%
    Floral 40.8%
    Fatty 39.67%
    Wine 39.07%
    Green 38.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.07 (neutral)

    Molecular weight
    272.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point

    • 150.34 ˚C est.

  • Synonyms

    • Dimethyl brassylate
    • DIMETHYL TRIDECANEDIOATE
    • Tridecanedioic acid, 1,13-dimethyl ester
    • Methyl brassylate
    • Tridecanedioic acid, dimethyl ester
    • UNII-RIW8EWM34G
    • RIW8EWM34G
    • Dimethyl tridecane-1,13-dioate
    • EINECS 216-012-6
    • 1,13-Dimethyltridecanedioate
    • DTXSID8061717
    • DIMETHYL 1,11-UNDECANEDICARBOXYLATE
    • 1,13-Undecanedicarboxylic acid dimethyl ester
    • UNDECANEDICARBOXYLIC ACID DIMETHYL ESTER
    • RefChem:134227
    • DTXCID4034788
    • DIMETHYL BRASSYLATE [INCI]
    • WWSBQOYADFGDQE-UHFFFAOYSA-N
    • 1472-87-3
    • MFCD00008464
    • tridecanedioic acid dimethyl ester
    • DIMETHYLTRIDECANEDIOATE
    • SCHEMBL493832
    • HY-W011637
    • BS-48955
    • DB-254500
    • NS00013594
    • F792225
    • Q27288141
    • 1472-87-3

  • Applications

    Dimethyl brassylate (CAS 1472-87-3) is primarily used in perfumery as an odorant and fixative, helping to stabilize and shape fragrance notes with a warm, floral-balsamic character. It is commonly employed as a fragrance intermediate in the synthesis of aroma chemicals and is selected for inclusion in cosmetics and personal care formulations to contribute specific scent profiles. In household products, it serves as a fragrance component to impart lasting aroma in cleaners and air fresheners. In industrial manufacturing, it is evaluated as a specialty aroma chemical intermediate for fragrance compound production and formulation. It can also be used in coatings and inks to add a controlled fragrance. Use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.56
    methanol 24.13
    isopropanol 17.8
    water 0.02
    ethyl acetate 108.7
    n-propanol 17.35
    acetone 103.91
    n-butanol 17.77
    acetonitrile 56.83
    DMF 215.98
    toluene 73.1
    isobutanol 17.48
    1,4-dioxane 175.28
    methyl acetate 95.31
    THF 410.81
    2-butanone 111.65
    n-pentanol 22.3
    sec-butanol 23.27
    n-hexane 6.69
    ethylene glycol 2.03
    NMP 445.69
    cyclohexane 24.17
    DMSO 350.45
    n-butyl acetate 102.73
    n-octanol 20.26
    chloroform 612.1
    n-propyl acetate 130.34
    acetic acid 65.97
    dichloromethane 653.05
    cyclohexanone 343.33
    propylene glycol 5.67
    isopropyl acetate 97.74
    DMAc 353.52
    2-ethoxyethanol 78.33
    isopentanol 26.61
    n-heptane 4.39
    ethyl formate 59.73
    1,2-dichloroethane 374.13
    n-hexanol 19.15
    2-methoxyethanol 76.82
    isobutyl acetate 75.91
    tetrachloromethane 80.95
    n-pentyl acetate 106.14
    transcutol 374.93
    n-heptanol 16.86
    ethylbenzene 52.98
    MIBK 92.39
    2-propoxyethanol 67.38
    tert-butanol 50.77
    MTBE 84.3
    2-butoxyethanol 61.38
    propionic acid 44.71
    o-xylene 67.37
    formic acid 15.06
    diethyl ether 58.51
    m-xylene 53.38
    p-xylene 74.7
    chlorobenzene 150.96
    dimethyl carbonate 35.13
    n-octane 2.82
    formamide 37.5
    cyclopentanone 406.43
    2-pentanone 100.35
    anisole 116.13
    cyclopentyl methyl ether 170.79
    gamma-butyrolactone 416.9
    1-methoxy-2-propanol 70.73
    pyridine 235.22
    3-pentanone 94.12
    furfural 372.49
    n-dodecane 2.05
    diethylene glycol 33.54
    diisopropyl ether 26.92
    tert-amyl alcohol 53.71
    acetylacetone 209.2
    n-hexadecane 2.59
    acetophenone 164.25
    methyl propionate 80.55
    isopentyl acetate 103.05
    trichloroethylene 740.75
    n-nonanol 21.65
    cyclohexanol 55.29
    benzyl alcohol 71.79
    2-ethylhexanol 23.24
    isooctanol 19.41
    dipropyl ether 48.02
    1,2-dichlorobenzene 191.99
    ethyl lactate 49.16
    propylene carbonate 209.79
    n-methylformamide 61.24
    2-pentanol 17.01
    n-pentane 3.46
    1-propoxy-2-propanol 62.04
    1-methoxy-2-propyl acetate 119.42
    2-(2-methoxypropoxy) propanol 92.16
    mesitylene 38.51
    ε-caprolactone 285.17
    p-cymene 28.48
    epichlorohydrin 484.62
    1,1,1-trichloroethane 353.97
    2-aminoethanol 7.54
    morpholine-4-carbaldehyde 314.93
    sulfolane 719.05
    2,2,4-trimethylpentane 5.73
    2-methyltetrahydrofuran 247.51
    n-hexyl acetate 109.17
    isooctane 3.24
    2-(2-butoxyethoxy)ethanol 110.43
    sec-butyl acetate 92.15
    tert-butyl acetate 146.53
    decalin 14.83
    glycerin 14.98
    diglyme 294.76
    acrylic acid 44.66
    isopropyl myristate 37.85
    n-butyric acid 79.84
    acetyl acetate 106.83
    di(2-ethylhexyl) phthalate 41.2
    ethyl propionate 111.13
    nitromethane 217.85
    1,2-diethoxyethane 125.89
    benzonitrile 113.49
    trioctyl phosphate 24.48
    1-bromopropane 137.99
    gamma-valerolactone 503.38
    n-decanol 14.43
    triethyl phosphate 69.25
    4-methyl-2-pentanol 16.91
    propionitrile 48.61
    vinylene carbonate 172.8
    1,1,2-trichlorotrifluoroethane 303.65
    DMS 95.43
    cumene 35.02
    2-octanol 15.89
    2-hexanone 113.03
    octyl acetate 45.98
    limonene 46.85
    1,2-dimethoxyethane 245.35
    ethyl orthosilicate 62.49
    tributyl phosphate 39.47
    diacetone alcohol 121.84
    N,N-dimethylaniline 87.22
    acrylonitrile 71.37
    aniline 68.44
    1,3-propanediol 16.52
    bromobenzene 193.73
    dibromomethane 371.22
    1,1,2,2-tetrachloroethane 661.78
    2-methyl-cyclohexyl acetate 100.58
    tetrabutyl urea 61.22
    diisobutyl methanol 20.35
    2-phenylethanol 55.11
    styrene 71.49
    dioctyl adipate 78.54
    dimethyl sulfate 121.76
    ethyl butyrate 101.76
    methyl lactate 38.41
    butyl lactate 66.66
    diethyl carbonate 71.61
    propanediol butyl ether 51.9
    triethyl orthoformate 83.61
    p-tert-butyltoluene 28.27
    methyl 4-tert-butylbenzoate 120.07
    morpholine 213.99
    tert-butylamine 31.2
    n-dodecanol 10.32
    dimethoxymethane 104.67
    ethylene carbonate 134.07
    cyrene 126.28
    2-ethoxyethyl acetate 143.84
    2-ethylhexyl acetate 86.11
    1,2,4-trichlorobenzene 230.1
    4-methylpyridine 217.41
    dibutyl ether 57.05
    2,6-dimethyl-4-heptanol 20.35
    DEF 170.7
    dimethyl isosorbide 238.97
    tetrachloroethylene 388.86
    eugenol 95.78
    triacetin 155.41
    span 80 76.27
    1,4-butanediol 9.34
    1,1-dichloroethane 271.36
    2-methyl-1-pentanol 31.83
    methyl formate 49.7
    2-methyl-1-butanol 24.76
    n-decane 4.28
    butyronitrile 52.4
    3,7-dimethyl-1-octanol 25.86
    1-chlorooctane 27.28
    1-chlorotetradecane 8.92
    n-nonane 3.92
    undecane 2.78
    tert-butylcyclohexane 10.53
    cyclooctane 6.45
    cyclopentanol 63.68
    tetrahydropyran 180.05
    tert-amyl methyl ether 77.12
    2,5,8-trioxanonane 187.2
    1-hexene 25.68
    2-isopropoxyethanol 65.46
    2,2,2-trifluoroethanol 36.24
    methyl butyrate 162.94

    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