Acetal

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  • Identifiers

    CAS number
    105-57-7

    Molecular formula
    C6H14O2

    SMILES
    CCOC(C)OCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 880.0

  • Odor profile

    Ethereal 87.99%
    Green 82.36%
    Fruity 74.25%
    Alcoholic 68.16%
    Cognac 61.29%
    Nutty 54.88%
    Pungent 49.84%
    Sweet 49.5%
    Winey 43.3%
    Rummy 42.91%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.1 (weak base)

    Molecular weight
    118.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -148 °F (USCG, 1999)
    • -100 °C

    Boiling point

    • 216 °F at 760 mmHg (USCG, 1999)
    • 102.7 °C AT 760 MM HG; 66.3 °C AT 200 MM HG; 39.8 °C AT 60 MM HG; 31.9 °C AT 40 MM HG; 19.6 °C AT 20 MM HG; +8.0 °C AT 10 MM HG; -2.3 °C AT 5 MM HG; -23 °C AT 1.0 MM HG
    • 102.00 to 104.00 °C. @ 760.00 mm Hg
    • 103 °C

    Flash point est.
    -0.45 ˚C

    Flash point expt.

    • -5 °F (USCG, 1999)
    • -20.5 °C
    • -5 °F (-21 °C) (CLOSED CUP)
    • -21 °C c.c.

    Solubility expt.

    • MISCIBLE WITH ALCOHOL, 60% ALCOHOL, ETHER; SOL IN HEPTANE, METHYLCYCLOHEXANE, ETHYL ACETATE; PROPYL, ISOPROPYL, BUTYL & ISOBUTYL ALCOHOLS; 100 G WATER DISSOLVE 5 G ACETAL
    • SOL IN CHLOROFORM
    • sol in acetone
    • Water Solubility = 4.4X10+4 mg/L at 25 °C
    • 44 mg/mL at 25 °C
    • Solubility in water, g/100ml: 5.0
    • slightly soluble in water; miscible with most organic solvents, oils
    • miscible (in ethanol)

  • Synonyms

    • Acetal
    • 1,1-DIETHOXYETHANE
    • 105-57-7
    • Acetaldehyde diethyl acetal
    • Diethyl acetal
    • Diethylacetal
    • Diaethylacetal
    • Acetale
    • Ethane, 1,1-diethoxy-
    • Ethylidene diethyl ether
    • Acetal diethylique
    • Acetaal
    • 1,1-Dietossietano
    • 1,1-Diethoxy-ethaan
    • 1,1-Diaethoxy-aethan
    • Acetaldehyde, diethyl acetal
    • Ethylidenediethyl ether
    • Acetaal [Dutch]
    • Acetal (natural)
    • Acetaldehyde ethyl acetal
    • Acetale [Italian]
    • USAF DO-45
    • Diaethylacetal [German]
    • acetaldehyde diethylacetal
    • FEMA No. 2002
    • Acetal diethylique [French]
    • NSC 7624
    • 1,1-diethoxy-ethane
    • 1,1-Dietossietano [Italian]
    • 1,1-Diethoxy-ethaan [Dutch]
    • 1,1-Diaethoxy-aethan [German]
    • HSDB 1635
    • Capsicum annuum l
    • EINECS 203-310-6
    • UN1088
    • 1,1-Diethoxyacetal
    • BRN 1098310
    • 5G14F9E2HB
    • DTXSID6030607
    • Ethanal diethyl acetal
    • Diethoxy-1,1-ethane
    • AI3-24135
    • Ethylidine diethyl ether
    • ACETAL [FHFI]
    • ACETAL [HSDB]
    • NSC-7624
    • ACETAL [MI]
    • CH3CH(OC2H5)2
    • DTXCID4010607
    • NSC7624
    • Acetal (Acetaldehyde diethyl acetal)
    • Ethane, diethoxy-
    • NCGC00091076-01
    • ACETALDEHYDE DIETHYL ACETAL [FCC]
    • ACETAAL (DUTCH)
    • ACETALE (ITALIAN)
    • DIAETHYLACETAL (GERMAN)
    • ACETAL DIETHYLIQUE (FRENCH)
    • 1,1-DIETOSSIETANO (ITALIAN)
    • 1,1-DIETHOXY-ETHAAN (DUTCH)
    • 1,1-DIAETHOXY-AETHAN (GERMAN)
    • CAS-105-57-7
    • MFCD00009243
    • UNII-5G14F9E2HB
    • Acetals
    • diethoxy-ethane
    • Acetal resin
    • Cadco acetal
    • Acetron GP
    • Aceton NS
    • Delrin AF Blend
    • 1,1Dietossietano
    • 1,1Diethoxyethaan
    • 1,1Diethoxyethane
    • 1,1Diaethoxyaethan
    • Acetal (VAN)
    • Delrin 100ST
    • Delrin 150SA
    • Delrin 500T
    • Delrin 550SA
    • Acetal [UN1088] [Flammable liquid]
    • Delrin 100
    • Delrin 107
    • Delrin 500
    • Delrin 507
    • Delrin 570
    • Delrin 900
    • Diaethylacetal(german)
    • Ethylene diethyl ether
    • 1, 1-Diethoxyethane
    • Ethane, 1,1diethoxy
    • Thermocomp KB-1008
    • SCHEMBL9459
    • Acetal, >=98%, FG
    • AT-20GF
    • ETHYLIDENE DIETHYLETHER
    • Delrin 100AF, 500AF
    • CHEMBL1338583
    • CHEBI:59769
    • FEMA 2002
    • Acetal, natural, FG, >=97%
    • WLN: 2OY1 & O2
    • 1, 1-Diaethoxy-aethan(GERMAN)
    • Acetaldehyde diethyl acetal, 99%
    • CHEBI:179533
    • Electrafil J-80/CF/10/TF/10
    • Tox21_111078
    • Tox21_200274
    • BBL011492
    • STL146604
    • AKOS005721110
    • FA15803
    • UN 1088
    • Acetal [UN1088] [Flammable liquid]
    • NCGC00091076-02
    • NCGC00257828-01
    • VS-02960
    • DB-040634
    • D0455
    • NS00011924
    • EN300-20127
    • Acetaldehyde diethyl acetal, analytical standard
    • SBI-0653878.0001
    • Q410938
    • SR-01000944353
    • SR-01000944353-1
    • Acetaldehyde diethylacetal 100 microg/mL in Acetonitrile
    • F8880-7267

  • Applications

    Acetal (1,1-diethoxyethane, CAS 105-57-7) is a medium-volatility organic solvent with a mild fruity odor widely employed in high-grade wood lacquers, solvent-based printing inks and automotive coatings to enhance gloss, drying time and nitrocellulose solubility; in the fragrance and flavor industry it serves as a carrier and fixative owing to its stable dispersion of essential oils; in organic synthesis it functions as an aldehyde protecting group that facilitates controlled condensation and reduction reactions; in the manufacture of urethane, polyester and alkyd resins it acts as a co-solvent to adjust viscosity and suppress foaming; additionally, Acetal is used in precision metal cleaners, hot-melt adhesives and vegetable-oil extraction systems because of its selective solvency and clean evaporation, meeting strict VOC regulations across many modern industrial processes.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1188.88
    methanol 1648.95
    isopropanol 1025.77
    water 13.09
    ethyl acetate 858.42
    n-propanol 1083.71
    acetone 872.82
    n-butanol 994.26
    acetonitrile 1242.56
    DMF 1042.86
    toluene 628.04
    isobutanol 816.19
    1,4-dioxane 1592.01
    methyl acetate 817.34
    THF 1924.25
    2-butanone 817.5
    n-pentanol 625.48
    sec-butanol 1091.68
    n-hexane 704.39
    ethylene glycol 359.01
    NMP 1471.56
    cyclohexane 1287.85
    DMSO 1073.68
    n-butyl acetate 608.38
    n-octanol 481.0
    chloroform 3991.77
    n-propyl acetate 517.3
    acetic acid 1550.19
    dichloromethane 3875.8
    cyclohexanone 1460.05
    propylene glycol 417.6
    isopropyl acetate 460.25
    DMAc 1059.18
    2-ethoxyethanol 698.11
    isopentanol 624.96
    n-heptane 566.56
    ethyl formate 595.9
    1,2-dichloroethane 1602.93
    n-hexanol 761.04
    2-methoxyethanol 1132.4
    isobutyl acetate 322.49
    tetrachloromethane 1178.85
    n-pentyl acetate 491.84
    transcutol 1111.02
    n-heptanol 358.69
    ethylbenzene 414.31
    MIBK 328.76
    2-propoxyethanol 766.18
    tert-butanol 1064.43
    MTBE 864.78
    2-butoxyethanol 439.86
    propionic acid 1073.55
    o-xylene 458.86
    formic acid 499.48
    diethyl ether 1127.42
    m-xylene 344.14
    p-xylene 559.28
    chlorobenzene 882.38
    dimethyl carbonate 222.5
    n-octane 188.39
    formamide 505.43
    cyclopentanone 1336.01
    2-pentanone 629.11
    anisole 552.7
    cyclopentyl methyl ether 1086.54
    gamma-butyrolactone 1551.5
    1-methoxy-2-propanol 800.62
    pyridine 1456.14
    3-pentanone 632.69
    furfural 1289.4
    n-dodecane 126.13
    diethylene glycol 516.98
    diisopropyl ether 305.04
    tert-amyl alcohol 1078.48
    acetylacetone 585.44
    n-hexadecane 136.1
    acetophenone 476.87
    methyl propionate 654.81
    isopentyl acetate 460.82
    trichloroethylene 2423.32
    n-nonanol 409.62
    cyclohexanol 1326.03
    benzyl alcohol 502.86
    2-ethylhexanol 544.78
    isooctanol 296.31
    dipropyl ether 739.15
    1,2-dichlorobenzene 842.84
    ethyl lactate 271.33
    propylene carbonate 812.79
    n-methylformamide 701.94
    2-pentanol 709.91
    n-pentane 591.88
    1-propoxy-2-propanol 613.04
    1-methoxy-2-propyl acetate 430.47
    2-(2-methoxypropoxy) propanol 416.75
    mesitylene 233.09
    ε-caprolactone 1190.38
    p-cymene 297.72
    epichlorohydrin 1397.1
    1,1,1-trichloroethane 1744.63
    2-aminoethanol 598.16
    morpholine-4-carbaldehyde 1147.13
    sulfolane 1603.56
    2,2,4-trimethylpentane 231.03
    2-methyltetrahydrofuran 1742.94
    n-hexyl acetate 698.29
    isooctane 104.95
    2-(2-butoxyethoxy)ethanol 489.84
    sec-butyl acetate 345.93
    tert-butyl acetate 405.37
    decalin 336.13
    glycerin 486.78
    diglyme 908.31
    acrylic acid 913.28
    isopropyl myristate 301.43
    n-butyric acid 1102.19
    acetyl acetate 571.89
    di(2-ethylhexyl) phthalate 257.41
    ethyl propionate 520.94
    nitromethane 1407.01
    1,2-diethoxyethane 616.07
    benzonitrile 708.74
    trioctyl phosphate 194.3
    1-bromopropane 1523.75
    gamma-valerolactone 1287.81
    n-decanol 293.77
    triethyl phosphate 287.9
    4-methyl-2-pentanol 314.55
    propionitrile 1060.03
    vinylene carbonate 788.89
    1,1,2-trichlorotrifluoroethane 1213.18
    DMS 421.14
    cumene 287.77
    2-octanol 342.05
    2-hexanone 492.97
    octyl acetate 369.22
    limonene 537.94
    1,2-dimethoxyethane 1245.26
    ethyl orthosilicate 291.51
    tributyl phosphate 252.17
    diacetone alcohol 418.99
    N,N-dimethylaniline 413.21
    acrylonitrile 1110.47
    aniline 721.91
    1,3-propanediol 678.92
    bromobenzene 979.95
    dibromomethane 2832.96
    1,1,2,2-tetrachloroethane 2128.44
    2-methyl-cyclohexyl acetate 438.79
    tetrabutyl urea 311.32
    diisobutyl methanol 273.45
    2-phenylethanol 442.78
    styrene 536.63
    dioctyl adipate 421.35
    dimethyl sulfate 374.87
    ethyl butyrate 530.42
    methyl lactate 343.3
    butyl lactate 329.04
    diethyl carbonate 383.77
    propanediol butyl ether 379.52
    triethyl orthoformate 410.65
    p-tert-butyltoluene 277.16
    methyl 4-tert-butylbenzoate 433.11
    morpholine 1691.78
    tert-butylamine 904.43
    n-dodecanol 234.9
    dimethoxymethane 654.83
    ethylene carbonate 666.38
    cyrene 381.62
    2-ethoxyethyl acetate 467.78
    2-ethylhexyl acetate 419.15
    1,2,4-trichlorobenzene 1019.04
    4-methylpyridine 1245.08
    dibutyl ether 685.05
    2,6-dimethyl-4-heptanol 273.45
    DEF 890.55
    dimethyl isosorbide 680.35
    tetrachloroethylene 1662.96
    eugenol 390.6
    triacetin 594.28
    span 80 475.46
    1,4-butanediol 325.52
    1,1-dichloroethane 1758.62
    2-methyl-1-pentanol 522.16
    methyl formate 489.59
    2-methyl-1-butanol 743.52
    n-decane 215.04
    butyronitrile 946.85
    3,7-dimethyl-1-octanol 445.17
    1-chlorooctane 489.24
    1-chlorotetradecane 202.4
    n-nonane 242.2
    undecane 152.55
    tert-butylcyclohexane 289.05
    cyclooctane 351.47
    cyclopentanol 1366.9
    tetrahydropyran 1937.24
    tert-amyl methyl ether 740.58
    2,5,8-trioxanonane 647.94
    1-hexene 1022.42
    2-isopropoxyethanol 482.4
    2,2,2-trifluoroethanol 473.72
    methyl butyrate 694.68

    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

Botanical

Name CAS Botanical Proportion
Aristolochia asclepiadifolia root Aristolochia asclepiadifolia, fam. Aristolochiaceae 0.04%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Plumeria rubra flower headspace (China) Plumeria rubra L. cultivar Acutifolia, fam. Apocynaceae 0.36%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 2.6%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 1.5%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%