Valeraldehyde propyleneglycol acetal

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  • Identifiers

    CAS number
    74094-60-3

    Molecular formula
    C8H16O2

    SMILES
    CCCCC1OCC(O1)C

  • Odor profile

    Green 88.29%
    Fruity 66.8%
    Ethereal 59.9%
    Fermented 50.77%
    Fatty 50.75%
    Sweet 45.72%
    Alcoholic 43.58%
    Fresh 40.17%
    Vegetable 38.56%
    Cognac 37.45%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 176.00 to 177.00 °C. @ 760.00 mm Hg

    Flash point est.
    50.45 ˚C

    Solubility expt.

    • Insoluble in water; soluble in organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • 2-Butyl-4-methyl-1,3-dioxolane
    • 74094-60-3
    • Valeraldehyde propyleneglycol acetal
    • 1,3-Dioxolane, 2-butyl-4-methyl-
    • Pentanal propyleneglycol acetal
    • EINECS 277-710-4
    • N5U0ZL00CI
    • DTXSID20868280
    • 1,3-Dioxolane, 4-methyl-2-butyl
    • UNII-N5U0ZL00CI
    • SCHEMBL3504388
    • FEMA NO. 4372
    • DTXCID80218863
    • CHEBI:179950
    • 2-Butyl-4-methyl-1,3-dioxolane #
    • AKOS028110477
    • PENTANAL PROPYLENE GLYCOL ACETAL
    • 1,3-Dioxolane, 2-butyl-4-methyl, cis
    • AS-60051
    • 1,3-Dioxolane, 2-butyl-4-methyl, trans
    • NS00060478
    • D93006
    • VALERALDEHYDE PROPYLENEGLYCOL ACETAL [FHFI]
    • 277-710-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4316.47
    methanol 4775.86
    isopropanol 3019.39
    water 11.11
    ethyl acetate 1300.56
    n-propanol 2791.48
    acetone 1224.36
    n-butanol 2629.85
    acetonitrile 1661.3
    DMF 991.92
    toluene 761.22
    isobutanol 1934.71
    1,4-dioxane 2408.46
    methyl acetate 945.42
    THF 2446.16
    2-butanone 956.74
    n-pentanol 1794.75
    sec-butanol 2234.24
    n-hexane 506.9
    ethylene glycol 769.96
    NMP 777.97
    cyclohexane 755.27
    DMSO 1270.82
    n-butyl acetate 1292.4
    n-octanol 821.9
    chloroform 6179.44
    n-propyl acetate 776.58
    acetic acid 2632.89
    dichloromethane 4211.84
    cyclohexanone 1439.48
    propylene glycol 1031.3
    isopropyl acetate 830.87
    DMAc 772.55
    2-ethoxyethanol 1734.44
    isopentanol 1909.14
    n-heptane 352.35
    ethyl formate 968.27
    1,2-dichloroethane 1574.29
    n-hexanol 2098.63
    2-methoxyethanol 2185.66
    isobutyl acetate 557.97
    tetrachloromethane 1134.91
    n-pentyl acetate 699.26
    transcutol 2767.15
    n-heptanol 753.89
    ethylbenzene 412.78
    MIBK 599.42
    2-propoxyethanol 2004.58
    tert-butanol 2628.9
    MTBE 1529.71
    2-butoxyethanol 988.72
    propionic acid 1467.08
    o-xylene 425.35
    formic acid 909.34
    diethyl ether 1647.21
    m-xylene 459.3
    p-xylene 561.42
    chlorobenzene 1084.49
    dimethyl carbonate 251.34
    n-octane 120.77
    formamide 720.38
    cyclopentanone 1162.9
    2-pentanone 874.77
    anisole 710.26
    cyclopentyl methyl ether 1167.25
    gamma-butyrolactone 1342.13
    1-methoxy-2-propanol 1555.22
    pyridine 1851.4
    3-pentanone 549.92
    furfural 1337.39
    n-dodecane 99.96
    diethylene glycol 1282.04
    diisopropyl ether 449.69
    tert-amyl alcohol 1862.91
    acetylacetone 733.31
    n-hexadecane 108.56
    acetophenone 570.46
    methyl propionate 664.85
    isopentyl acetate 970.6
    trichloroethylene 2873.3
    n-nonanol 657.2
    cyclohexanol 1823.07
    benzyl alcohol 815.79
    2-ethylhexanol 969.06
    isooctanol 562.25
    dipropyl ether 921.96
    1,2-dichlorobenzene 850.52
    ethyl lactate 400.27
    propylene carbonate 986.73
    n-methylformamide 819.21
    2-pentanol 1600.71
    n-pentane 540.09
    1-propoxy-2-propanol 1305.7
    1-methoxy-2-propyl acetate 723.16
    2-(2-methoxypropoxy) propanol 673.87
    mesitylene 305.17
    ε-caprolactone 1419.31
    p-cymene 322.31
    epichlorohydrin 1570.72
    1,1,1-trichloroethane 1948.75
    2-aminoethanol 1470.99
    morpholine-4-carbaldehyde 1139.88
    sulfolane 1111.86
    2,2,4-trimethylpentane 187.76
    2-methyltetrahydrofuran 1982.32
    n-hexyl acetate 940.4
    isooctane 142.83
    2-(2-butoxyethoxy)ethanol 944.66
    sec-butyl acetate 538.04
    tert-butyl acetate 657.3
    decalin 216.5
    glycerin 1014.29
    diglyme 1563.91
    acrylic acid 1130.16
    isopropyl myristate 341.41
    n-butyric acid 2443.55
    acetyl acetate 834.87
    di(2-ethylhexyl) phthalate 330.88
    ethyl propionate 562.29
    nitromethane 1559.75
    1,2-diethoxyethane 1065.43
    benzonitrile 1183.46
    trioctyl phosphate 245.23
    1-bromopropane 1613.05
    gamma-valerolactone 1471.3
    n-decanol 440.64
    triethyl phosphate 281.7
    4-methyl-2-pentanol 771.09
    propionitrile 1473.82
    vinylene carbonate 959.62
    1,1,2-trichlorotrifluoroethane 1518.07
    DMS 429.56
    cumene 290.17
    2-octanol 520.65
    2-hexanone 805.53
    octyl acetate 421.78
    limonene 502.74
    1,2-dimethoxyethane 1952.21
    ethyl orthosilicate 306.36
    tributyl phosphate 293.72
    diacetone alcohol 672.97
    N,N-dimethylaniline 448.63
    acrylonitrile 1314.39
    aniline 1059.75
    1,3-propanediol 1822.22
    bromobenzene 1130.0
    dibromomethane 2985.54
    1,1,2,2-tetrachloroethane 2414.59
    2-methyl-cyclohexyl acetate 498.7
    tetrabutyl urea 325.39
    diisobutyl methanol 444.27
    2-phenylethanol 839.73
    styrene 567.91
    dioctyl adipate 438.28
    dimethyl sulfate 320.28
    ethyl butyrate 687.16
    methyl lactate 422.63
    butyl lactate 475.33
    diethyl carbonate 446.3
    propanediol butyl ether 883.92
    triethyl orthoformate 509.19
    p-tert-butyltoluene 303.3
    methyl 4-tert-butylbenzoate 487.81
    morpholine 2737.01
    tert-butylamine 1977.77
    n-dodecanol 329.4
    dimethoxymethane 834.94
    ethylene carbonate 926.79
    cyrene 460.38
    2-ethoxyethyl acetate 684.95
    2-ethylhexyl acetate 733.79
    1,2,4-trichlorobenzene 947.45
    4-methylpyridine 1681.36
    dibutyl ether 766.26
    2,6-dimethyl-4-heptanol 444.27
    DEF 902.16
    dimethyl isosorbide 782.31
    tetrachloroethylene 1838.69
    eugenol 502.0
    triacetin 636.14
    span 80 731.46
    1,4-butanediol 905.85
    1,1-dichloroethane 2224.93
    2-methyl-1-pentanol 1301.06
    methyl formate 586.72
    2-methyl-1-butanol 1645.01
    n-decane 168.55
    butyronitrile 1881.97
    3,7-dimethyl-1-octanol 679.19
    1-chlorooctane 468.63
    1-chlorotetradecane 185.95
    n-nonane 177.99
    undecane 121.86
    tert-butylcyclohexane 200.81
    cyclooctane 205.96
    cyclopentanol 1642.55
    tetrahydropyran 2543.6
    tert-amyl methyl ether 905.72
    2,5,8-trioxanonane 1013.21
    1-hexene 1241.08
    2-isopropoxyethanol 1128.51
    2,2,2-trifluoroethanol 615.14
    methyl butyrate 866.47

    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