Acetaldehyde diisoamyl acetal

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  • Identifiers

    CAS number
    13002-09-0

    Molecular formula
    C12H26O2

    SMILES
    CC(C)CCOC(C)OCCC(C)C

  • Odor profile

    Green 96.71%
    Alcoholic 79.01%
    Ethereal 76.92%
    Cognac 69.85%
    Fermented 65.41%
    Cocoa 58.93%
    Malty 54.23%
    Fruity 49.08%
    Vegetable 47.04%
    Nutty 38.57%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 210.00 °C. @ 760.00 mm Hg

    Flash point est.
    73.79 ˚C

    Solubility expt.

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 13002-09-0
    • acetaldehyde diisoamyl acetal
    • 3-methyl-1-[1-(3-methylbutoxy)ethoxy]butane
    • 1-(1-(Isopentyloxy)ethoxy)-3-methylbutane
    • Acetaldehyde di(3-methylbutyl) acetal
    • 1,1'-(Ethylidenebis(oxy))bis(3-methylbutane)
    • UNII-C34X3NFO1A
    • C34X3NFO1A
    • 1,1-Bis(isopentyloxy)ethane
    • 1,1-Di-3-methylbutoxyethane
    • EINECS 235-839-3
    • FEMA NO. 4024
    • DTXSID80156296
    • Butane, 1,1'-[ethylidenebis(oxy)]bis[3-methyl-
    • ACETALDEHYDE, DIISOPENTYL ACETAL
    • ETHANE, 1,1-BIS(ISOPENTYLOXY)-
    • ACETALDEHYDE DIISOAMYL ACETAL [FHFI]
    • 1,1'-[ethylidenebis(oxy)]bis(3-methylbutane)
    • 1,1/'-(Ethylidenebis(oxy))bis(3-methylbutane)
    • Butane, 1,1'-(ethylidenebis(oxy))bis(3-methyl-
    • BUTANE, 3-METHYL-1-(1-(3-METHYLBUTOXY)ETHOXY)-
    • 3-methyl-1-(1-(3-methylbutoxy)ethoxy)butane
    • 1,1'-[Ethylidenebis(oxy)]bis[3-methylbutane]
    • 1,1-diisopentyloxy-ethane
    • 1,1-Bis(isopentyloxy)-Ethane
    • 1-di-(3-methylbutoxy)-ethane
    • SCHEMBL3269649
    • DTXCID1078787
    • CHEBI:178467
    • LXKCTPBHCJDSKC-UHFFFAOYSA-N
    • AKOS015902259
    • acetaldehyde di-isoamyl acetal, AldrichCPR
    • NS00021589
    • 3-Methyl-1-[1-(3-methylbutoxy)ethoxy]-Butane
    • Acetaldehyde, diisopentyl acetal (6CI,7CI,8CI)
    • Q27275123
    • Butane, 1,1'-[ethylidenebis(oxy)]bis[3-methyl- (9CI)

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1488.32
    methanol 1012.57
    isopropanol 1728.45
    water 1.69
    ethyl acetate 1763.16
    n-propanol 1428.78
    acetone 1690.35
    n-butanol 1694.88
    acetonitrile 1081.92
    DMF 1004.47
    toluene 995.91
    isobutanol 1348.15
    1,4-dioxane 2965.83
    methyl acetate 1255.06
    THF 4173.12
    2-butanone 1434.46
    n-pentanol 1148.53
    sec-butanol 1810.79
    n-hexane 1788.95
    ethylene glycol 170.67
    NMP 1779.36
    cyclohexane 3543.6
    DMSO 1257.44
    n-butyl acetate 2276.57
    n-octanol 1191.06
    chloroform 7369.51
    n-propyl acetate 1317.65
    acetic acid 1920.09
    dichloromethane 4586.11
    cyclohexanone 3533.42
    propylene glycol 423.22
    isopropyl acetate 1373.65
    DMAc 1136.7
    2-ethoxyethanol 952.61
    isopentanol 1498.12
    n-heptane 1862.02
    ethyl formate 944.95
    1,2-dichloroethane 2317.36
    n-hexanol 1941.81
    2-methoxyethanol 1244.83
    isobutyl acetate 1054.96
    tetrachloromethane 1784.27
    n-pentyl acetate 1551.64
    transcutol 3269.57
    n-heptanol 1056.18
    ethylbenzene 782.43
    MIBK 912.19
    2-propoxyethanol 1571.06
    tert-butanol 2621.98
    MTBE 2193.71
    2-butoxyethanol 1229.8
    propionic acid 1448.43
    o-xylene 810.94
    formic acid 304.74
    diethyl ether 1757.93
    m-xylene 751.88
    p-xylene 1310.53
    chlorobenzene 1521.01
    dimethyl carbonate 336.23
    n-octane 571.78
    formamide 320.75
    cyclopentanone 2621.9
    2-pentanone 1298.83
    anisole 887.46
    cyclopentyl methyl ether 2447.17
    gamma-butyrolactone 2585.64
    1-methoxy-2-propanol 1148.7
    pyridine 1982.32
    3-pentanone 1130.01
    furfural 1806.07
    n-dodecane 318.54
    diethylene glycol 718.37
    diisopropyl ether 946.21
    tert-amyl alcohol 2299.61
    acetylacetone 1312.91
    n-hexadecane 363.57
    acetophenone 951.04
    methyl propionate 993.33
    isopentyl acetate 1957.03
    trichloroethylene 4046.88
    n-nonanol 1087.78
    cyclohexanol 3112.26
    benzyl alcohol 741.89
    2-ethylhexanol 1680.97
    isooctanol 931.06
    dipropyl ether 2156.66
    1,2-dichlorobenzene 1412.82
    ethyl lactate 584.99
    propylene carbonate 1893.04
    n-methylformamide 528.19
    2-pentanol 1477.37
    n-pentane 1130.01
    1-propoxy-2-propanol 1741.39
    1-methoxy-2-propyl acetate 1343.93
    2-(2-methoxypropoxy) propanol 912.82
    mesitylene 617.83
    ε-caprolactone 2967.11
    p-cymene 773.97
    epichlorohydrin 2336.59
    1,1,1-trichloroethane 3715.9
    2-aminoethanol 448.28
    morpholine-4-carbaldehyde 1564.26
    sulfolane 2715.89
    2,2,4-trimethylpentane 535.63
    2-methyltetrahydrofuran 3794.58
    n-hexyl acetate 2162.34
    isooctane 358.0
    2-(2-butoxyethoxy)ethanol 1278.32
    sec-butyl acetate 1071.01
    tert-butyl acetate 1474.53
    decalin 963.46
    glycerin 444.6
    diglyme 2191.78
    acrylic acid 937.33
    isopropyl myristate 936.52
    n-butyric acid 2586.32
    acetyl acetate 1311.76
    di(2-ethylhexyl) phthalate 596.05
    ethyl propionate 1114.89
    nitromethane 1583.05
    1,2-diethoxyethane 1725.66
    benzonitrile 1158.29
    trioctyl phosphate 565.37
    1-bromopropane 2319.61
    gamma-valerolactone 2665.67
    n-decanol 786.52
    triethyl phosphate 764.72
    4-methyl-2-pentanol 835.25
    propionitrile 1075.84
    vinylene carbonate 1435.28
    1,1,2-trichlorotrifluoroethane 1960.2
    DMS 987.31
    cumene 626.09
    2-octanol 926.05
    2-hexanone 1224.11
    octyl acetate 1057.62
    limonene 1413.63
    1,2-dimethoxyethane 1893.58
    ethyl orthosilicate 832.2
    tributyl phosphate 742.21
    diacetone alcohol 1218.01
    N,N-dimethylaniline 674.55
    acrylonitrile 887.04
    aniline 1026.56
    1,3-propanediol 838.08
    bromobenzene 1765.78
    dibromomethane 4035.38
    1,1,2,2-tetrachloroethane 4292.96
    2-methyl-cyclohexyl acetate 1433.87
    tetrabutyl urea 814.09
    diisobutyl methanol 1052.99
    2-phenylethanol 878.32
    styrene 860.41
    dioctyl adipate 1077.54
    dimethyl sulfate 503.99
    ethyl butyrate 1677.88
    methyl lactate 494.09
    butyl lactate 1089.06
    diethyl carbonate 1080.4
    propanediol butyl ether 1045.93
    triethyl orthoformate 1409.23
    p-tert-butyltoluene 769.25
    methyl 4-tert-butylbenzoate 987.81
    morpholine 3026.79
    tert-butylamine 2212.46
    n-dodecanol 624.43
    dimethoxymethane 740.69
    ethylene carbonate 1506.1
    cyrene 715.55
    2-ethoxyethyl acetate 1261.36
    2-ethylhexyl acetate 1725.25
    1,2,4-trichlorobenzene 1684.54
    4-methylpyridine 1816.83
    dibutyl ether 2185.87
    2,6-dimethyl-4-heptanol 1052.99
    DEF 1291.07
    dimethyl isosorbide 1548.11
    tetrachloroethylene 2981.32
    eugenol 767.11
    triacetin 1453.57
    span 80 1279.18
    1,4-butanediol 374.59
    1,1-dichloroethane 3162.05
    2-methyl-1-pentanol 1132.88
    methyl formate 422.11
    2-methyl-1-butanol 1430.35
    n-decane 610.15
    butyronitrile 1537.28
    3,7-dimethyl-1-octanol 1210.65
    1-chlorooctane 1256.5
    1-chlorotetradecane 525.43
    n-nonane 684.44
    undecane 408.86
    tert-butylcyclohexane 816.12
    cyclooctane 1033.16
    cyclopentanol 2407.19
    tetrahydropyran 4448.5
    tert-amyl methyl ether 1602.94
    2,5,8-trioxanonane 1306.77
    1-hexene 2089.81
    2-isopropoxyethanol 872.15
    2,2,2-trifluoroethanol 562.07
    methyl butyrate 1514.5

    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