Ethanedioic acid, 1-(3,7-dimethyl-6-octen-1-yl) 2-ethyl ester

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  • Identifiers

    CAS number
    60788-25-2

    Molecular formula
    C14H24O4

    SMILES
    CCOC(=O)C(=O)OCCC(C)CCC=C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 83.63%
    Rose 68.94%
    Sweet 57.81%
    Waxy 46.65%
    Fruity 40.23%
    Herbal 37.13%
    Green 36.83%
    Lily 36.15%
    Fresh 35.74%
    Honey 35.65%

     

    Flavor
    Fruity 58.53%
    Green 43.46%
    Waxy 40.76%
    Tropical 33.26%
    Rose 32.21%
    Sweet 31.78%
    Oily 30.7%
    Floral 28.61%
    Fruit 28.57%
    Apple 28.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.62 (neutral)

    Molecular weight
    256.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point

    • 128.19 ˚C est.

  • Synonyms

    • Citronellyl ethyl oxalate
    • 60788-25-2
    • Citronellyl ethoxalate
    • ethyl citronellyl oxalate
    • 2-O-(3,7-dimethyloct-6-enyl) 1-O-ethyl oxalate
    • EINECS 262-433-3
    • Ethanedioic acid, 3,7-dimethyl-6-octenyl ethyl ester
    • Ethanedioic acid,1-(3,7-dimethyl-6-octen-1-yl) 2-ethyl ester
    • Ethanedioic acid, 1-(3,7-dimethyl-6-octen-1-yl) 2-ethyl ester
    • SCHEMBL873576
    • DTXSID8052275
    • VCHQSPDXMJAXJI-UHFFFAOYSA-N
    • DB-254723
    • NS00012113
    • 3,7-dimethyloct-6-en-1-yl ethyl ethanedioate
    • 262-433-3

  • Applications

    Ethanedioic acid, 1-(3,7-dimethyl-6-octen-1-yl) 2-ethyl ester (CAS 60788-25-2) is a lipophilic oxalate diester bearing a terpenoid side chain, which can influence volatility and compatibility in oil-based formulations. In practical use, it may serve as a fragrance intermediate and fixative in perfumery, and as a cosmetic/personal care ingredient or solvent for oil-phase formulations; it may also appear in household products as a fragrance additive. In industrial manufacturing, diester oxalates are used as plasticizers or processing aids for polymers, plastics, coatings and inks, improving flexibility and workability. It can function as a chemical intermediate in the synthesis of specialty fragrance materials or terpenoid derivatives, and may be incorporated into adhesives where plasticization or compatibility with hydrophobic components is desired. Applications and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1048.49
    methanol 1175.16
    isopropanol 699.1
    water 0.13
    ethyl acetate 1011.25
    n-propanol 836.73
    acetone 1086.67
    n-butanol 725.96
    acetonitrile 627.92
    DMF 1082.67
    toluene 461.66
    isobutanol 561.13
    1,4-dioxane 1099.87
    methyl acetate 733.35
    THF 1459.74
    2-butanone 1029.82
    n-pentanol 515.46
    sec-butanol 843.06
    n-hexane 37.18
    ethylene glycol 82.04
    NMP 1231.99
    cyclohexane 141.03
    DMSO 1275.58
    n-butyl acetate 511.7
    n-octanol 132.92
    chloroform 1629.56
    n-propyl acetate 438.79
    acetic acid 725.1
    dichloromethane 1672.08
    cyclohexanone 1511.67
    propylene glycol 207.77
    isopropyl acetate 482.88
    DMAc 917.52
    2-ethoxyethanol 748.96
    isopentanol 579.29
    n-heptane 16.01
    ethyl formate 408.14
    1,2-dichloroethane 1384.42
    n-hexanol 425.75
    2-methoxyethanol 1234.95
    isobutyl acetate 235.37
    tetrachloromethane 193.09
    n-pentyl acetate 298.5
    transcutol 1766.75
    n-heptanol 164.98
    ethylbenzene 206.01
    MIBK 423.64
    2-propoxyethanol 672.55
    tert-butanol 743.13
    MTBE 637.46
    2-butoxyethanol 362.4
    propionic acid 496.59
    o-xylene 292.44
    formic acid 209.47
    diethyl ether 676.58
    m-xylene 287.27
    p-xylene 265.72
    chlorobenzene 664.6
    dimethyl carbonate 180.88
    n-octane 9.25
    formamide 475.53
    cyclopentanone 1344.6
    2-pentanone 852.53
    anisole 398.0
    cyclopentyl methyl ether 743.87
    gamma-butyrolactone 1207.45
    1-methoxy-2-propanol 850.78
    pyridine 1159.16
    3-pentanone 607.64
    furfural 1003.69
    n-dodecane 6.94
    diethylene glycol 440.2
    diisopropyl ether 158.87
    tert-amyl alcohol 797.06
    acetylacetone 748.88
    n-hexadecane 8.55
    acetophenone 442.48
    methyl propionate 681.09
    isopentyl acetate 463.19
    trichloroethylene 2521.56
    n-nonanol 120.63
    cyclohexanol 907.72
    benzyl alcohol 461.31
    2-ethylhexanol 222.96
    isooctanol 145.08
    dipropyl ether 158.92
    1,2-dichlorobenzene 519.61
    ethyl lactate 208.94
    propylene carbonate 609.32
    n-methylformamide 621.97
    2-pentanol 532.57
    n-pentane 42.12
    1-propoxy-2-propanol 447.89
    1-methoxy-2-propyl acetate 478.74
    2-(2-methoxypropoxy) propanol 327.3
    mesitylene 168.82
    ε-caprolactone 1128.35
    p-cymene 110.73
    epichlorohydrin 1877.91
    1,1,1-trichloroethane 1038.52
    2-aminoethanol 316.72
    morpholine-4-carbaldehyde 962.66
    sulfolane 1246.35
    2,2,4-trimethylpentane 35.07
    2-methyltetrahydrofuran 1342.68
    n-hexyl acetate 359.56
    isooctane 20.94
    2-(2-butoxyethoxy)ethanol 515.83
    sec-butyl acetate 325.6
    tert-butyl acetate 495.95
    decalin 53.38
    glycerin 235.63
    diglyme 894.46
    acrylic acid 373.58
    isopropyl myristate 111.33
    n-butyric acid 814.27
    acetyl acetate 426.49
    di(2-ethylhexyl) phthalate 128.19
    ethyl propionate 390.69
    nitromethane 1217.65
    1,2-diethoxyethane 502.81
    benzonitrile 458.02
    trioctyl phosphate 85.7
    1-bromopropane 734.83
    gamma-valerolactone 1600.81
    n-decanol 83.61
    triethyl phosphate 121.84
    4-methyl-2-pentanol 215.53
    propionitrile 528.37
    vinylene carbonate 503.53
    1,1,2-trichlorotrifluoroethane 1003.71
    DMS 316.98
    cumene 127.06
    2-octanol 116.93
    2-hexanone 452.03
    octyl acetate 151.54
    limonene 181.97
    1,2-dimethoxyethane 812.85
    ethyl orthosilicate 124.44
    tributyl phosphate 109.75
    diacetone alcohol 621.09
    N,N-dimethylaniline 243.42
    acrylonitrile 622.87
    aniline 611.88
    1,3-propanediol 555.74
    bromobenzene 677.91
    dibromomethane 1181.6
    1,1,2,2-tetrachloroethane 1975.3
    2-methyl-cyclohexyl acetate 259.3
    tetrabutyl urea 149.72
    diisobutyl methanol 117.05
    2-phenylethanol 396.55
    styrene 267.92
    dioctyl adipate 181.03
    dimethyl sulfate 287.0
    ethyl butyrate 303.75
    methyl lactate 274.74
    butyl lactate 245.29
    diethyl carbonate 176.37
    propanediol butyl ether 340.42
    triethyl orthoformate 184.6
    p-tert-butyltoluene 107.84
    methyl 4-tert-butylbenzoate 285.82
    morpholine 1763.85
    tert-butylamine 402.39
    n-dodecanol 59.61
    dimethoxymethane 629.32
    ethylene carbonate 445.31
    cyrene 358.36
    2-ethoxyethyl acetate 445.76
    2-ethylhexyl acetate 359.15
    1,2,4-trichlorobenzene 621.8
    4-methylpyridine 1069.68
    dibutyl ether 162.64
    2,6-dimethyl-4-heptanol 117.05
    DEF 868.48
    dimethyl isosorbide 558.83
    tetrachloroethylene 1098.79
    eugenol 281.7
    triacetin 317.91
    span 80 283.76
    1,4-butanediol 222.21
    1,1-dichloroethane 1208.46
    2-methyl-1-pentanol 483.39
    methyl formate 363.76
    2-methyl-1-butanol 623.84
    n-decane 12.64
    butyronitrile 555.5
    3,7-dimethyl-1-octanol 174.19
    1-chlorooctane 98.25
    1-chlorotetradecane 30.52
    n-nonane 11.68
    undecane 9.1
    tert-butylcyclohexane 37.73
    cyclooctane 30.74
    cyclopentanol 715.98
    tetrahydropyran 1398.23
    tert-amyl methyl ether 498.02
    2,5,8-trioxanonane 553.77
    1-hexene 177.46
    2-isopropoxyethanol 477.4
    2,2,2-trifluoroethanol 176.21
    methyl butyrate 536.57

    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