3,5-Dimethoxybenzoic Acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1132-21-4

    Molecular formula
    C9H10O4

    SMILES
    COC1=CC(=CC(=C1)C(=O)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 59.71%
    Vanilla 53.22%
    Phenolic 46.79%
    Floral 43.03%
    Powdery 40.52%
    Balsamic 40.36%
    Creamy 35.38%
    Aromatic 32.95%
    Spicy 31.52%
    Fruity 30.59%

     

    Flavor
    Odorless 32.91%
    Sweet 30.82%
    Faint 29.49%
    Powdery 25.28%
    Mild 25.06%
    Balsam 24.98%
    Phenolic 23.3%
    Woody 23.0%
    Balsamic 22.39%
    Creamy 21.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.88 (neutral)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Flash point

    • 142.64 ˚C est.

  • Synonyms

    • 3,5-DIMETHOXYBENZOIC ACID
    • 1132-21-4
    • Benzoic acid, 3,5-dimethoxy-
    • UNII-38MY78ECKK
    • NSC 8514
    • 38MY78ECKK
    • NSC 43744
    • NSC-8514
    • EINECS 214-473-8
    • NSC-43744
    • AI3-52341
    • DTXSID3061550
    • CHEBI:142601
    • 35-Dimethoxybenzoate
    • RefChem:91566
    • 35-Dimethoxybenzoic acid
    • Benzoic acid, 3,5dimethoxy
    • DTXCID2033318
    • 214-473-8
    • InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11
    • IWPZKOJSYQZABD-UHFFFAOYSA-N
    • MFCD00002502
    • 3,5-dimethoxy benzoic acid
    • 3,5-dimethoxy-benzoic acid
    • 3,5-DimethoxybenzoicAcid
    • SCHEMBL503889
    • CHEMBL488610
    • orb1693487
    • NSC8514
    • 3,5-Dimethoxybenzoic acid, 97%
    • NSC43744
    • BDBM50494898
    • SBB007798
    • STK297833
    • AKOS000119533
    • AB00230
    • AC-7307
    • BS-3988
    • CS-W001251
    • EBC-152128
    • FD00304
    • HY-W001251
    • PD158230
    • SY005660
    • D1534
    • NS00015784
    • ST45061496
    • EN300-20119
    • 132D214
    • AK-968/40724491
    • F077697
    • Q27256795
    • F3098-1920
    • Z104476958
    • 1132-21-4

  • Applications

    3,5-Dimethoxybenzoic acid (CAS 1132-21-4) is primarily used as an organic synthesis intermediate. In pharmaceutical development, it serves as a building block for the preparation of drug candidates and related intermediates. In agrochemicals, it is employed as a precursor in the syntheses of certain herbicidal or pesticidal agents. In fragrance and flavor chemistry, it may function as a starting material or intermediate for aromatic compounds contributing to scents and flavors. In coatings and inks, it can be used as a precursor to dye and pigment intermediates and as a functionalized building block for polymer-related materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.16
    methanol 52.03
    isopropanol 22.04
    water 3.14
    ethyl acetate 16.94
    n-propanol 23.0
    acetone 50.13
    n-butanol 16.31
    acetonitrile 33.28
    DMF 192.94
    toluene 9.3
    isobutanol 15.19
    1,4-dioxane 79.76
    methyl acetate 47.52
    THF 116.46
    2-butanone 34.05
    n-pentanol 13.69
    sec-butanol 14.87
    n-hexane 0.45
    ethylene glycol 41.06
    NMP 140.64
    cyclohexane 1.82
    DMSO 284.62
    n-butyl acetate 12.36
    n-octanol 10.68
    chloroform 32.01
    n-propyl acetate 13.25
    acetic acid 33.21
    dichloromethane 60.85
    cyclohexanone 52.57
    propylene glycol 23.38
    isopropyl acetate 8.54
    DMAc 216.31
    2-ethoxyethanol 45.42
    isopentanol 14.62
    n-heptane 1.13
    ethyl formate 39.46
    1,2-dichloroethane 38.05
    n-hexanol 14.41
    2-methoxyethanol 91.63
    isobutyl acetate 8.26
    tetrachloromethane 6.91
    n-pentyl acetate 8.77
    transcutol 34.64
    n-heptanol 11.09
    ethylbenzene 8.55
    MIBK 10.23
    2-propoxyethanol 38.34
    tert-butanol 43.46
    MTBE 15.06
    2-butoxyethanol 24.7
    propionic acid 26.51
    o-xylene 12.87
    formic acid 47.59
    diethyl ether 8.42
    m-xylene 8.05
    p-xylene 13.36
    chlorobenzene 15.87
    dimethyl carbonate 24.47
    n-octane 0.78
    formamide 101.39
    cyclopentanone 80.97
    2-pentanone 15.58
    anisole 28.46
    cyclopentyl methyl ether 23.32
    gamma-butyrolactone 100.2
    1-methoxy-2-propanol 40.19
    pyridine 54.55
    3-pentanone 14.33
    furfural 98.88
    n-dodecane 1.0
    diethylene glycol 54.24
    diisopropyl ether 2.62
    tert-amyl alcohol 26.8
    acetylacetone 25.66
    n-hexadecane 1.12
    acetophenone 32.41
    methyl propionate 26.23
    isopentyl acetate 13.0
    trichloroethylene 59.61
    n-nonanol 10.96
    cyclohexanol 19.33
    benzyl alcohol 31.67
    2-ethylhexanol 10.42
    isooctanol 9.95
    dipropyl ether 7.79
    1,2-dichlorobenzene 19.9
    ethyl lactate 14.65
    propylene carbonate 41.86
    n-methylformamide 95.39
    2-pentanol 7.22
    n-pentane 0.46
    1-propoxy-2-propanol 20.86
    1-methoxy-2-propyl acetate 19.76
    2-(2-methoxypropoxy) propanol 25.79
    mesitylene 5.35
    ε-caprolactone 43.47
    p-cymene 7.57
    epichlorohydrin 103.05
    1,1,1-trichloroethane 23.08
    2-aminoethanol 43.15
    morpholine-4-carbaldehyde 127.29
    sulfolane 119.6
    2,2,4-trimethylpentane 0.69
    2-methyltetrahydrofuran 51.36
    n-hexyl acetate 12.72
    isooctane 0.39
    2-(2-butoxyethoxy)ethanol 27.81
    sec-butyl acetate 7.55
    tert-butyl acetate 12.31
    decalin 1.66
    glycerin 50.52
    diglyme 58.47
    acrylic acid 28.49
    isopropyl myristate 6.84
    n-butyric acid 21.63
    acetyl acetate 14.57
    di(2-ethylhexyl) phthalate 11.86
    ethyl propionate 12.33
    nitromethane 90.81
    1,2-diethoxyethane 13.22
    benzonitrile 26.63
    trioctyl phosphate 8.57
    1-bromopropane 11.4
    gamma-valerolactone 101.98
    n-decanol 9.09
    triethyl phosphate 14.86
    4-methyl-2-pentanol 5.88
    propionitrile 25.17
    vinylene carbonate 44.11
    1,1,2-trichlorotrifluoroethane 76.98
    DMS 17.95
    cumene 7.35
    2-octanol 6.63
    2-hexanone 14.77
    octyl acetate 10.0
    limonene 9.03
    1,2-dimethoxyethane 83.34
    ethyl orthosilicate 12.96
    tributyl phosphate 8.51
    diacetone alcohol 26.18
    N,N-dimethylaniline 26.68
    acrylonitrile 44.24
    aniline 24.07
    1,3-propanediol 43.72
    bromobenzene 14.06
    dibromomethane 26.56
    1,1,2,2-tetrachloroethane 45.9
    2-methyl-cyclohexyl acetate 17.48
    tetrabutyl urea 15.58
    diisobutyl methanol 6.67
    2-phenylethanol 25.08
    styrene 9.16
    dioctyl adipate 14.02
    dimethyl sulfate 58.22
    ethyl butyrate 12.86
    methyl lactate 25.29
    butyl lactate 10.36
    diethyl carbonate 13.88
    propanediol butyl ether 17.05
    triethyl orthoformate 11.67
    p-tert-butyltoluene 7.08
    methyl 4-tert-butylbenzoate 27.53
    morpholine 82.36
    tert-butylamine 18.04
    n-dodecanol 7.4
    dimethoxymethane 66.61
    ethylene carbonate 34.34
    cyrene 45.26
    2-ethoxyethyl acetate 15.6
    2-ethylhexyl acetate 10.22
    1,2,4-trichlorobenzene 27.0
    4-methylpyridine 48.32
    dibutyl ether 6.99
    2,6-dimethyl-4-heptanol 6.67
    DEF 36.34
    dimethyl isosorbide 52.25
    tetrachloroethylene 30.99
    eugenol 27.19
    triacetin 18.42
    span 80 18.08
    1,4-butanediol 21.54
    1,1-dichloroethane 20.51
    2-methyl-1-pentanol 13.21
    methyl formate 90.67
    2-methyl-1-butanol 13.75
    n-decane 1.32
    butyronitrile 18.71
    3,7-dimethyl-1-octanol 10.09
    1-chlorooctane 5.15
    1-chlorotetradecane 2.96
    n-nonane 1.13
    undecane 1.14
    tert-butylcyclohexane 1.32
    cyclooctane 0.74
    cyclopentanol 29.85
    tetrahydropyran 33.38
    tert-amyl methyl ether 12.57
    2,5,8-trioxanonane 51.06
    1-hexene 2.19
    2-isopropoxyethanol 25.37
    2,2,2-trifluoroethanol 29.54
    methyl butyrate 20.85

    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