Dimethyl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    23985-75-3

    Molecular formula
    C14H16O4

    SMILES
    COC(=O)C1CCC2=C(C1)C=CC(=C2)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 81.64%
    Floral 68.55%
    Sweet 58.69%
    Grape 44.37%
    Berry 36.39%
    Cherry 35.42%
    Powdery 31.95%
    Winey 28.23%
    Anisic 27.1%
    Honey 26.07%

     

    Flavor
    Fruity 46.45%
    Bitter 43.93%
    Balsam 42.03%
    Herbal 35.98%
    Floral 34.46%
    Strawberry 33.51%
    Wintergreen 32.49%
    Grape 32.12%
    Sweet 30.88%
    Powdery 25.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.11 (neutral)

    Molecular weight
    248.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    356°C

    Flash point

    • 161.96 ˚C est.

  • Synonyms

    • 23985-75-3
    • Dimethyl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
    • 2,6-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-, dimethyl ester
    • dimethyl tetralin-2,6-dicarboxylate
    • MFCD27957373
    • (+/-)-Dimethyl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
    • SCHEMBL2766220
    • SCHEMBL29732553
    • DTXSID80461312
    • AKOS027321048
    • DA-07791
    • SY357228
    • NS00128534
    • 1,2,3,4-TETRAHYDRONAPHTHALENE-2,6-DICARBOXYLIC ACID, DIMETHYL ESTER
    • 23985-75-3

  • Applications

    Dimethyl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate (CAS 23985-75-3) is primarily used as a versatile diester building block in synthetic chemistry. In pharmaceutical and fine-chemical production, it provides a scaffold and starting point for the preparation of more complex tetralin-derived intermediates and potentially bioactive derivatives. It is also employed in organic synthesis as a diester precursor for subsequent functionalization to access polycyclic frameworks and compound libraries. In polymer and coatings applications, it can serve as a precursor to specialty monomers and resins or coating formulations that incorporate the aryl-rich tetralin backbone. Additionally, it may be evaluated for agrochemical research and development as a synthetic intermediate, with actual use governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.79
    methanol 18.61
    isopropanol 7.17
    water 0.06
    ethyl acetate 46.5
    n-propanol 7.63
    acetone 24.01
    n-butanol 9.12
    acetonitrile 18.08
    DMF 51.23
    toluene 32.31
    isobutanol 5.67
    1,4-dioxane 100.28
    methyl acetate 36.34
    THF 70.87
    2-butanone 27.87
    n-pentanol 7.55
    sec-butanol 5.96
    n-hexane 0.25
    ethylene glycol 4.07
    NMP 38.37
    cyclohexane 0.62
    DMSO 30.33
    n-butyl acetate 22.98
    n-octanol 3.31
    chloroform 165.48
    n-propyl acetate 25.66
    acetic acid 32.5
    dichloromethane 155.45
    cyclohexanone 49.85
    propylene glycol 2.4
    isopropyl acetate 32.89
    DMAc 70.04
    2-ethoxyethanol 43.85
    isopentanol 13.35
    n-heptane 0.24
    ethyl formate 17.29
    1,2-dichloroethane 90.33
    n-hexanol 8.65
    2-methoxyethanol 59.7
    isobutyl acetate 17.94
    tetrachloromethane 9.91
    n-pentyl acetate 13.53
    transcutol 175.13
    n-heptanol 6.21
    ethylbenzene 15.04
    MIBK 27.33
    2-propoxyethanol 43.1
    tert-butanol 21.03
    MTBE 20.14
    2-butoxyethanol 26.29
    propionic acid 13.81
    o-xylene 22.32
    formic acid 24.44
    diethyl ether 21.82
    m-xylene 18.26
    p-xylene 18.01
    chlorobenzene 35.86
    dimethyl carbonate 33.49
    n-octane 0.25
    formamide 60.83
    cyclopentanone 48.49
    2-pentanone 26.01
    anisole 46.94
    cyclopentyl methyl ether 28.05
    gamma-butyrolactone 62.82
    1-methoxy-2-propanol 39.02
    pyridine 73.33
    3-pentanone 27.28
    furfural 99.81
    n-dodecane 0.29
    diethylene glycol 43.0
    diisopropyl ether 6.99
    tert-amyl alcohol 14.37
    acetylacetone 62.63
    n-hexadecane 0.35
    acetophenone 45.48
    methyl propionate 33.64
    isopentyl acetate 27.4
    trichloroethylene 223.17
    n-nonanol 4.16
    cyclohexanol 10.7
    benzyl alcohol 33.69
    2-ethylhexanol 6.84
    isooctanol 6.61
    dipropyl ether 9.62
    1,2-dichlorobenzene 44.81
    ethyl lactate 14.7
    propylene carbonate 31.82
    n-methylformamide 26.28
    2-pentanol 6.38
    n-pentane 0.23
    1-propoxy-2-propanol 22.47
    1-methoxy-2-propyl acetate 47.5
    2-(2-methoxypropoxy) propanol 37.65
    mesitylene 10.46
    ε-caprolactone 42.54
    p-cymene 8.21
    epichlorohydrin 127.01
    1,1,1-trichloroethane 54.6
    2-aminoethanol 7.24
    morpholine-4-carbaldehyde 92.85
    sulfolane 62.56
    2,2,4-trimethylpentane 0.59
    2-methyltetrahydrofuran 31.56
    n-hexyl acetate 15.09
    isooctane 0.46
    2-(2-butoxyethoxy)ethanol 46.47
    sec-butyl acetate 22.58
    tert-butyl acetate 45.03
    decalin 1.29
    glycerin 11.66
    diglyme 121.42
    acrylic acid 19.33
    isopropyl myristate 8.27
    n-butyric acid 23.43
    acetyl acetate 42.71
    di(2-ethylhexyl) phthalate 13.16
    ethyl propionate 28.57
    nitromethane 88.13
    1,2-diethoxyethane 42.5
    benzonitrile 31.21
    trioctyl phosphate 6.43
    1-bromopropane 18.19
    gamma-valerolactone 98.97
    n-decanol 3.26
    triethyl phosphate 18.75
    4-methyl-2-pentanol 7.76
    propionitrile 19.01
    vinylene carbonate 42.68
    1,1,2-trichlorotrifluoroethane 78.94
    DMS 36.88
    cumene 9.81
    2-octanol 3.58
    2-hexanone 20.04
    octyl acetate 8.86
    limonene 8.16
    1,2-dimethoxyethane 89.86
    ethyl orthosilicate 18.04
    tributyl phosphate 8.87
    diacetone alcohol 44.85
    N,N-dimethylaniline 29.75
    acrylonitrile 32.89
    aniline 38.17
    1,3-propanediol 18.36
    bromobenzene 38.1
    dibromomethane 65.35
    1,1,2,2-tetrachloroethane 139.49
    2-methyl-cyclohexyl acetate 24.39
    tetrabutyl urea 12.39
    diisobutyl methanol 6.93
    2-phenylethanol 30.07
    styrene 19.57
    dioctyl adipate 16.94
    dimethyl sulfate 50.39
    ethyl butyrate 22.84
    methyl lactate 18.4
    butyl lactate 13.35
    diethyl carbonate 19.77
    propanediol butyl ether 14.89
    triethyl orthoformate 21.45
    p-tert-butyltoluene 8.32
    methyl 4-tert-butylbenzoate 36.81
    morpholine 75.78
    tert-butylamine 8.72
    n-dodecanol 2.62
    dimethoxymethane 80.41
    ethylene carbonate 32.91
    cyrene 40.52
    2-ethoxyethyl acetate 37.29
    2-ethylhexyl acetate 19.13
    1,2,4-trichlorobenzene 55.57
    4-methylpyridine 56.09
    dibutyl ether 7.25
    2,6-dimethyl-4-heptanol 6.93
    DEF 35.73
    dimethyl isosorbide 74.85
    tetrachloroethylene 101.24
    eugenol 36.28
    triacetin 34.16
    span 80 19.99
    1,4-butanediol 6.44
    1,1-dichloroethane 49.62
    2-methyl-1-pentanol 11.43
    methyl formate 24.69
    2-methyl-1-butanol 8.62
    n-decane 0.45
    butyronitrile 14.18
    3,7-dimethyl-1-octanol 5.89
    1-chlorooctane 2.76
    1-chlorotetradecane 1.43
    n-nonane 0.33
    undecane 0.35
    tert-butylcyclohexane 1.11
    cyclooctane 0.33
    cyclopentanol 7.99
    tetrahydropyran 35.53
    tert-amyl methyl ether 16.16
    2,5,8-trioxanonane 84.4
    1-hexene 2.02
    2-isopropoxyethanol 30.69
    2,2,2-trifluoroethanol 22.33
    methyl butyrate 29.55

    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