1,1,3-Triethoxypropane

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  • Identifiers

    CAS number
    7789-92-6

    Molecular formula
    C9H20O3

    SMILES
    CCOCCC(OCC)OCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 86.11%
    Ethereal 77.48%
    Alcoholic 53.74%
    Cognac 40.35%
    Fermented 36.89%
    Pungent 36.39%
    Green 35.99%
    Sweet 33.17%
    Apple 32.31%
    Rummy 31.87%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    176.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point est.
    57.18 ˚C

  • Synonyms

    • 1,1,3-Triethoxypropane
    • 7789-92-6
    • 3-Ethoxypropionaldehyde diethyl acetal
    • Propane, 1,1,3-triethoxy-
    • 1,3,3-Triethoxypropane
    • 3-Ethoxypropanal diethyl acetal
    • PROPANE, 1,3,3-TRIETHOXY-
    • Propionaldehyde, 3-ethoxy-, diethyl acetal
    • UNII-1QW8J6VXAM
    • 1QW8J6VXAM
    • .beta.-Ethoxypropionaldehyde diethyl acetal
    • 3-Ethoxypropionaldehydediethylacetal
    • EINECS 232-193-4
    • NSC 71868
    • BRN 1098506
    • beta-Ethoxypropionaldehyde diethyl acetal
    • AI3-06431
    • NSC-71868
    • 1,1,3-triethoxy-propane
    • DTXSID40228509
    • MFCD00009241
    • 1,3-Triethoxypropane
    • Propane,3,3-triethoxy-
    • SCHEMBL1701153
    • WLN: 2OYO2&2O2
    • DTXCID40151000
    • NSC71868
    • AKOS009156707
    • AS-77291
    • DB-056268
    • 3-Ethoxypropionaldehyde diethyl acetal, 95%
    • NS00022797
    • 3-Ethoxypropionaldehyde diethyl acetal, >=95%
    • D95701
    • Propionaldehyde, 3-ethoxy-, diethyl acetal (8CI)
    • Q27252769
    • 232-193-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2792.06
    methanol 3185.68
    isopropanol 2225.81
    water 12.39
    ethyl acetate 2918.49
    n-propanol 2360.99
    acetone 3106.02
    n-butanol 2106.28
    acetonitrile 2674.02
    DMF 2796.87
    toluene 1742.83
    isobutanol 1907.24
    1,4-dioxane 3987.19
    methyl acetate 2509.09
    THF 4501.05
    2-butanone 2378.33
    n-pentanol 1240.93
    sec-butanol 2383.41
    n-hexane 1058.59
    ethylene glycol 730.0
    NMP 3881.99
    cyclohexane 2659.54
    DMSO 3214.46
    n-butyl acetate 1664.13
    n-octanol 786.84
    chloroform 10807.85
    n-propyl acetate 1461.24
    acetic acid 5106.13
    dichloromethane 8653.66
    cyclohexanone 4749.45
    propylene glycol 845.53
    isopropyl acetate 1654.66
    DMAc 2992.48
    2-ethoxyethanol 1564.48
    isopentanol 1622.13
    n-heptane 750.52
    ethyl formate 1645.16
    1,2-dichloroethane 4574.42
    n-hexanol 1333.77
    2-methoxyethanol 2717.59
    isobutyl acetate 904.95
    tetrachloromethane 2543.8
    n-pentyl acetate 1267.56
    transcutol 2838.43
    n-heptanol 629.29
    ethylbenzene 818.94
    MIBK 1034.84
    2-propoxyethanol 1663.88
    tert-butanol 2591.48
    MTBE 2550.8
    2-butoxyethanol 914.12
    propionic acid 2780.84
    o-xylene 1115.17
    formic acid 1431.09
    diethyl ether 2903.22
    m-xylene 1006.45
    p-xylene 1227.46
    chlorobenzene 2264.66
    dimethyl carbonate 689.32
    n-octane 232.77
    formamide 1400.75
    cyclopentanone 3736.22
    2-pentanone 1957.94
    anisole 1062.07
    cyclopentyl methyl ether 3088.83
    gamma-butyrolactone 4131.9
    1-methoxy-2-propanol 1865.75
    pyridine 3866.58
    3-pentanone 1889.78
    furfural 3153.63
    n-dodecane 155.13
    diethylene glycol 1161.2
    diisopropyl ether 851.6
    tert-amyl alcohol 2542.17
    acetylacetone 1924.16
    n-hexadecane 175.78
    acetophenone 1084.44
    methyl propionate 2002.9
    isopentyl acetate 1409.39
    trichloroethylene 7735.44
    n-nonanol 676.45
    cyclohexanol 3684.85
    benzyl alcohol 1004.06
    2-ethylhexanol 1035.17
    isooctanol 542.92
    dipropyl ether 1456.61
    1,2-dichlorobenzene 1968.93
    ethyl lactate 638.79
    propylene carbonate 2302.72
    n-methylformamide 1734.56
    2-pentanol 1585.05
    n-pentane 917.72
    1-propoxy-2-propanol 1289.44
    1-methoxy-2-propyl acetate 1244.02
    2-(2-methoxypropoxy) propanol 789.86
    mesitylene 649.34
    ε-caprolactone 3995.1
    p-cymene 566.74
    epichlorohydrin 3842.36
    1,1,1-trichloroethane 5207.09
    2-aminoethanol 1216.78
    morpholine-4-carbaldehyde 2965.77
    sulfolane 4056.16
    2,2,4-trimethylpentane 429.01
    2-methyltetrahydrofuran 4681.96
    n-hexyl acetate 1679.63
    isooctane 223.99
    2-(2-butoxyethoxy)ethanol 986.74
    sec-butyl acetate 1098.08
    tert-butyl acetate 1471.35
    decalin 676.7
    glycerin 1080.08
    diglyme 2018.64
    acrylic acid 2194.24
    isopropyl myristate 607.49
    n-butyric acid 3488.19
    acetyl acetate 2166.14
    di(2-ethylhexyl) phthalate 507.83
    ethyl propionate 1440.59
    nitromethane 4771.91
    1,2-diethoxyethane 1610.04
    benzonitrile 1625.89
    trioctyl phosphate 387.77
    1-bromopropane 3450.92
    gamma-valerolactone 3960.73
    n-decanol 457.05
    triethyl phosphate 689.78
    4-methyl-2-pentanol 727.0
    propionitrile 2155.12
    vinylene carbonate 2231.24
    1,1,2-trichlorotrifluoroethane 3499.86
    DMS 1147.45
    cumene 553.63
    2-octanol 541.19
    2-hexanone 1281.18
    octyl acetate 747.19
    limonene 1061.53
    1,2-dimethoxyethane 2590.28
    ethyl orthosilicate 688.68
    tributyl phosphate 543.41
    diacetone alcohol 1259.07
    N,N-dimethylaniline 812.21
    acrylonitrile 2218.65
    aniline 1787.14
    1,3-propanediol 1593.48
    bromobenzene 2741.41
    dibromomethane 6425.45
    1,1,2,2-tetrachloroethane 7260.4
    2-methyl-cyclohexyl acetate 1022.15
    tetrabutyl urea 636.26
    diisobutyl methanol 577.34
    2-phenylethanol 899.94
    styrene 1046.74
    dioctyl adipate 886.49
    dimethyl sulfate 1192.58
    ethyl butyrate 1417.36
    methyl lactate 881.97
    butyl lactate 773.83
    diethyl carbonate 944.95
    propanediol butyl ether 793.11
    triethyl orthoformate 1034.35
    p-tert-butyltoluene 536.51
    methyl 4-tert-butylbenzoate 913.99
    morpholine 4532.83
    tert-butylamine 2079.23
    n-dodecanol 355.91
    dimethoxymethane 1623.85
    ethylene carbonate 2125.78
    cyrene 806.3
    2-ethoxyethyl acetate 1246.82
    2-ethylhexyl acetate 1203.47
    1,2,4-trichlorobenzene 2340.84
    4-methylpyridine 3325.89
    dibutyl ether 1360.03
    2,6-dimethyl-4-heptanol 577.34
    DEF 2718.4
    dimethyl isosorbide 1306.46
    tetrachloroethylene 5122.78
    eugenol 731.87
    triacetin 1434.39
    span 80 889.26
    1,4-butanediol 623.37
    1,1-dichloroethane 5002.26
    2-methyl-1-pentanol 1132.95
    methyl formate 1348.11
    2-methyl-1-butanol 1822.69
    n-decane 283.41
    butyronitrile 2153.29
    3,7-dimethyl-1-octanol 782.91
    1-chlorooctane 793.11
    1-chlorotetradecane 304.78
    n-nonane 314.67
    undecane 194.57
    tert-butylcyclohexane 525.43
    cyclooctane 673.11
    cyclopentanol 3128.95
    tetrahydropyran 5340.9
    tert-amyl methyl ether 2023.48
    2,5,8-trioxanonane 1275.98
    1-hexene 1767.94
    2-isopropoxyethanol 1102.65
    2,2,2-trifluoroethanol 1571.78
    methyl butyrate 1955.95

    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