5-Hydroxymethoxymethyl-1-aza-3,7-dioxabicyclo(3.3.0)octane

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  • Identifiers

    CAS number
    59720-42-2

    Molecular formula
    C7H13NO4

    SMILES
    C1C2(COCN2CO1)COCO

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 43.8%
    Sweet 37.88%
    Alcoholic 26.68%
    Fishy 26.14%
    Ethereal 18.05%
    Cooling 17.76%
    Oily 17.66%
    Animal 16.89%
    Solvent 16.78%
    Nutty 16.27%

     

    Flavor
    Bitter 52.66%
    Fatty 34.81%
    Sweet-like 23.98%
    Sweet 23.66%
    Roasted 23.3%
    Cauliflower 21.7%
    Alkaline 21.57%
    Bouillon 21.17%
    Odorless 21.09%
    Cereal 20.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    6.81 (neutral)

    Molecular weight
    175.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    283°C

    Flash point

    • 146.29 ˚C est.

  • Synonyms

    • 5-Hydroxymethoxymethyl-1-aza-3,7-dioxabicyclo(3.3.0)octane
    • Caswell No. 494CA
    • 2BC57S8KTE
    • EPA Pesticide Chemical Code 107001
    • 5-Hydroxymethoxymethyl-1-aza-3,7-dioxabicyclo-octane
    • DTXSID9034288
    • Methanol, (1H,3H,5H-oxazolo(3,4-c)oxazol-7a(7H)-ylmethoxy)-
    • 5-(hydroxymethylmono(oxymethylene))-1-aza-3,7-dioxabicyclo(3.3.0)octane
    • 5-hydroxymethoxymethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane
    • OXAZOLO(3,4-C)OXAZOL-7A(7H)-YLMETHOXY)METHANOL, (1H,3H,5H-
    • 5-HYDROXYPENTA(METHYLENEOXY)METHYL-1-AZA-3,7-DIOXABICYCLO(3.3.0)
    • RefChem:536246
    • DTXCID7014288
    • 874-012-7
    • 59720-42-2
    • 1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-ylmethoxymethanol
    • 56709-13-8
    • UNII-2BC57S8KTE
    • SCHEMBL238807
    • LOOVHMYLQJKYRI-UHFFFAOYSA-N
    • DB-296143
    • NS00005406
    • 1H,3H,5H-Oxazolo(3,4-c)oxazole, methanol deriv.
    • Q27254518
    • 5-hydroxymethoxymethylaza-3,7-dioxabicyclo(3,3,0)octane
    • [(1H,3H,5H-[1,3]Oxazolo[3,4-c][1,3]oxazol-7a(7H)-yl)methoxy]methanol
    • 56709-13-8

  • Applications

    5-Hydroxymethoxymethyl-1-aza-3,7-dioxabicyclo(3.3.0)octane (CAS 59720-42-2) is a specialized protecting-group and synthetic intermediate in organic synthesis. It functions as a methoxymethyl (MOM) protected bicyclic acetal that masks diol functionality in carbohydrate and nucleoside chemistry, enabling selective transformations later. It is used as a building block and intermediate in pharmaceutical and agrochemical development, and can serve as a masked diol scaffold in polymer chemistry for controlled processing or crosslinking. It is commonly evaluated for laboratory-scale synthesis and method development in fine chemical manufacturing, with use constrained by formulation requirements and local regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 67.05
    methanol 210.14
    isopropanol 31.48
    water 1567.42
    ethyl acetate 19.98
    n-propanol 37.59
    acetone 26.77
    n-butanol 24.82
    acetonitrile 47.01
    DMF 398.4
    toluene 4.02
    isobutanol 22.52
    1,4-dioxane 47.94
    methyl acetate 23.62
    THF 45.5
    2-butanone 14.91
    n-pentanol 10.05
    sec-butanol 18.66
    n-hexane 0.33
    ethylene glycol 238.95
    NMP 297.18
    cyclohexane 2.11
    DMSO 281.86
    n-butyl acetate 5.64
    n-octanol 7.39
    chloroform 89.25
    n-propyl acetate 8.61
    acetic acid 345.15
    dichloromethane 108.41
    cyclohexanone 39.19
    propylene glycol 102.0
    isopropyl acetate 10.69
    DMAc 248.7
    2-ethoxyethanol 75.48
    isopentanol 14.72
    n-heptane 1.27
    ethyl formate 49.66
    1,2-dichloroethane 35.83
    n-hexanol 9.33
    2-methoxyethanol 253.7
    isobutyl acetate 4.84
    tetrachloromethane 17.59
    n-pentyl acetate 5.74
    transcutol 62.71
    n-heptanol 9.71
    ethylbenzene 2.31
    MIBK 8.15
    2-propoxyethanol 47.71
    tert-butanol 23.99
    MTBE 5.16
    2-butoxyethanol 36.45
    propionic acid 87.46
    o-xylene 6.28
    formic acid 1222.18
    diethyl ether 6.31
    m-xylene 5.06
    p-xylene 4.14
    chlorobenzene 11.0
    dimethyl carbonate 33.1
    n-octane 0.66
    formamide 941.98
    cyclopentanone 55.88
    2-pentanone 11.68
    anisole 8.5
    cyclopentyl methyl ether 15.88
    gamma-butyrolactone 122.13
    1-methoxy-2-propanol 111.44
    pyridine 39.09
    3-pentanone 10.88
    furfural 177.54
    n-dodecane 0.53
    diethylene glycol 101.38
    diisopropyl ether 2.27
    tert-amyl alcohol 16.24
    acetylacetone 24.63
    n-hexadecane 0.59
    acetophenone 17.16
    methyl propionate 29.7
    isopentyl acetate 5.2
    trichloroethylene 94.27
    n-nonanol 6.88
    cyclohexanol 24.44
    benzyl alcohol 22.19
    2-ethylhexanol 5.29
    isooctanol 7.44
    dipropyl ether 5.63
    1,2-dichlorobenzene 16.42
    ethyl lactate 25.01
    propylene carbonate 61.03
    n-methylformamide 320.24
    2-pentanol 10.35
    n-pentane 0.79
    1-propoxy-2-propanol 25.42
    1-methoxy-2-propyl acetate 15.29
    2-(2-methoxypropoxy) propanol 25.28
    mesitylene 4.17
    ε-caprolactone 44.57
    p-cymene 3.96
    epichlorohydrin 84.11
    1,1,1-trichloroethane 23.15
    2-aminoethanol 208.0
    morpholine-4-carbaldehyde 240.19
    sulfolane 176.19
    2,2,4-trimethylpentane 0.64
    2-methyltetrahydrofuran 20.58
    n-hexyl acetate 7.98
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 31.36
    sec-butyl acetate 4.89
    tert-butyl acetate 8.8
    decalin 0.84
    glycerin 291.42
    diglyme 66.68
    acrylic acid 155.26
    isopropyl myristate 3.42
    n-butyric acid 78.94
    acetyl acetate 21.75
    di(2-ethylhexyl) phthalate 8.52
    ethyl propionate 10.52
    nitromethane 371.19
    1,2-diethoxyethane 7.18
    benzonitrile 23.21
    trioctyl phosphate 6.24
    1-bromopropane 8.61
    gamma-valerolactone 132.58
    n-decanol 4.88
    triethyl phosphate 9.84
    4-methyl-2-pentanol 6.05
    propionitrile 24.14
    vinylene carbonate 84.03
    1,1,2-trichlorotrifluoroethane 220.8
    DMS 12.28
    cumene 2.43
    2-octanol 4.75
    2-hexanone 5.14
    octyl acetate 5.2
    limonene 4.97
    1,2-dimethoxyethane 52.07
    ethyl orthosilicate 8.48
    tributyl phosphate 5.98
    diacetone alcohol 26.75
    N,N-dimethylaniline 10.97
    acrylonitrile 59.69
    aniline 19.67
    1,3-propanediol 161.82
    bromobenzene 9.03
    dibromomethane 39.3
    1,1,2,2-tetrachloroethane 66.49
    2-methyl-cyclohexyl acetate 7.87
    tetrabutyl urea 10.42
    diisobutyl methanol 4.42
    2-phenylethanol 14.96
    styrene 2.58
    dioctyl adipate 7.15
    dimethyl sulfate 90.05
    ethyl butyrate 9.06
    methyl lactate 68.13
    butyl lactate 13.95
    diethyl carbonate 7.89
    propanediol butyl ether 34.22
    triethyl orthoformate 8.55
    p-tert-butyltoluene 3.9
    methyl 4-tert-butylbenzoate 22.97
    morpholine 81.73
    tert-butylamine 9.94
    n-dodecanol 3.62
    dimethoxymethane 75.84
    ethylene carbonate 53.51
    cyrene 57.52
    2-ethoxyethyl acetate 10.64
    2-ethylhexyl acetate 4.28
    1,2,4-trichlorobenzene 21.94
    4-methylpyridine 26.33
    dibutyl ether 2.97
    2,6-dimethyl-4-heptanol 4.42
    DEF 56.45
    dimethyl isosorbide 39.27
    tetrachloroethylene 52.7
    eugenol 27.61
    triacetin 18.03
    span 80 24.95
    1,4-butanediol 52.88
    1,1-dichloroethane 22.43
    2-methyl-1-pentanol 6.97
    methyl formate 184.15
    2-methyl-1-butanol 16.24
    n-decane 0.8
    butyronitrile 21.76
    3,7-dimethyl-1-octanol 6.0
    1-chlorooctane 2.58
    1-chlorotetradecane 1.27
    n-nonane 0.74
    undecane 0.64
    tert-butylcyclohexane 0.58
    cyclooctane 1.02
    cyclopentanol 38.69
    tetrahydropyran 16.48
    tert-amyl methyl ether 5.95
    2,5,8-trioxanonane 47.54
    1-hexene 0.96
    2-isopropoxyethanol 30.79
    2,2,2-trifluoroethanol 380.58
    methyl butyrate 16.28

    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