6-Oxabicyclo(3.1.0)hexane-3-acetaldehyde, 1,2,2-trimethyl-, (1alpha,3alpha,5alpha)-(-)-

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  • Identifiers

    CAS number
    36789-60-3

    Molecular formula
    C10H16O2

    SMILES
    C[C@@]12[C@@H](O1)C[C@@H](C2(C)C)CC=O

    Safety labels

  • Odor profile

    Fragrance
    Woody 59.98%
    Herbal 56.03%
    Green 56.02%
    Mint 47.24%
    Fresh 43.94%
    Camphoreous 39.48%
    Cooling 39.28%
    Earthy 36.27%
    Pine 31.96%
    Spicy 31.16%

     

    Flavor
    Woody 58.85%
    Green 58.12%
    Herbal 53.42%
    Minty 40.61%
    Earthy 35.61%
    Fruity 34.42%
    Camphor 34.34%
    Spicy 31.53%
    Sweet 30.72%
    Floral 29.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.42 (weak acid)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    233°C

    Flash point

    • 60.42 ˚C est.

  • Synonyms

    • 36789-60-3
    • 6-Oxabicyclo(3.1.0)hexane-3-acetaldehyde, 1,2,2-trimethyl-, (1alpha,3alpha,5alpha)-(-)-
    • 6-Oxabicyclo[3.1.0]hexane-3-acetaldehyde, 1,2,2-trimethyl-, (1alpha,3alpha,5alpha)-(-)-
    • RefChem:309267
    • DTXSID701142426
    • [(1R,3R,5S)-1,2,2-Trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl]acetaldehyde
    • 6-Oxabicyclo[3.1.0]hexane-3-acetaldehyde, 1,2,2-trimethyl-, (1I+/-,3I+/-,5I+/-)-(-)-
    • 36789-60-3

  • Applications

    6-Oxabicyclo(3.1.0)hexane-3-acetaldehyde, 1,2,2-trimethyl-, (1alpha,3alpha,5alpha)-(-)- (CAS 36789-60-3) is typically used as a chiral building block and intermediate in the synthesis of fragrance compounds, providing stereochemical control in aroma formulations; it may also be evaluated as a precursor for enantioenriched aroma and flavor ingredients and as a reactive aldehyde in organic synthesis. In cosmetics and personal care, it can function as a fragrance component or intermediate in formulation development; in household products, coatings/inks, and industrial manufacturing, it is considered for use as a specialty chemical precursor for chiral materials and related additives. Its role is discussed within the context of formulation development and process chemistry, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 360.2
    methanol 486.7
    isopropanol 303.01
    water 17.01
    ethyl acetate 567.04
    n-propanol 275.15
    acetone 697.49
    n-butanol 202.38
    acetonitrile 750.61
    DMF 832.78
    toluene 196.71
    isobutanol 189.8
    1,4-dioxane 963.33
    methyl acetate 698.8
    THF 985.46
    2-butanone 466.92
    n-pentanol 111.16
    sec-butanol 175.7
    n-hexane 8.39
    ethylene glycol 201.73
    NMP 422.83
    cyclohexane 24.31
    DMSO 529.9
    n-butyl acetate 191.12
    n-octanol 59.24
    chloroform 1287.3
    n-propyl acetate 229.98
    acetic acid 393.37
    dichloromethane 1181.57
    cyclohexanone 407.85
    propylene glycol 169.34
    isopropyl acetate 337.03
    DMAc 556.08
    2-ethoxyethanol 317.56
    isopentanol 168.3
    n-heptane 10.18
    ethyl formate 349.91
    1,2-dichloroethane 682.16
    n-hexanol 135.97
    2-methoxyethanol 644.9
    isobutyl acetate 147.39
    tetrachloromethane 198.78
    n-pentyl acetate 111.16
    transcutol 734.54
    n-heptanol 70.29
    ethylbenzene 96.81
    MIBK 230.64
    2-propoxyethanol 377.43
    tert-butanol 352.4
    MTBE 285.44
    2-butoxyethanol 203.43
    propionic acid 322.64
    o-xylene 133.94
    formic acid 332.44
    diethyl ether 317.73
    m-xylene 144.37
    p-xylene 166.68
    chlorobenzene 346.59
    dimethyl carbonate 324.68
    n-octane 5.37
    formamide 657.93
    cyclopentanone 680.5
    2-pentanone 335.96
    anisole 317.19
    cyclopentyl methyl ether 293.21
    gamma-butyrolactone 838.29
    1-methoxy-2-propanol 463.97
    pyridine 551.76
    3-pentanone 273.66
    furfural 706.42
    n-dodecane 5.77
    diethylene glycol 406.36
    diisopropyl ether 100.94
    tert-amyl alcohol 192.01
    acetylacetone 572.85
    n-hexadecane 6.77
    acetophenone 258.9
    methyl propionate 456.84
    isopentyl acetate 182.26
    trichloroethylene 1221.94
    n-nonanol 59.11
    cyclohexanol 153.08
    benzyl alcohol 204.16
    2-ethylhexanol 73.18
    isooctanol 60.37
    dipropyl ether 107.0
    1,2-dichlorobenzene 315.67
    ethyl lactate 132.32
    propylene carbonate 428.77
    n-methylformamide 644.74
    2-pentanol 132.76
    n-pentane 12.66
    1-propoxy-2-propanol 216.49
    1-methoxy-2-propyl acetate 330.88
    2-(2-methoxypropoxy) propanol 198.61
    mesitylene 94.66
    ε-caprolactone 373.13
    p-cymene 61.42
    epichlorohydrin 984.05
    1,1,1-trichloroethane 675.71
    2-aminoethanol 261.85
    morpholine-4-carbaldehyde 647.3
    sulfolane 594.01
    2,2,4-trimethylpentane 9.63
    2-methyltetrahydrofuran 478.63
    n-hexyl acetate 154.25
    isooctane 10.22
    2-(2-butoxyethoxy)ethanol 249.95
    sec-butyl acetate 167.72
    tert-butyl acetate 320.5
    decalin 16.38
    glycerin 237.03
    diglyme 523.7
    acrylic acid 320.96
    isopropyl myristate 71.15
    n-butyric acid 307.98
    acetyl acetate 446.92
    di(2-ethylhexyl) phthalate 73.92
    ethyl propionate 234.81
    nitromethane 1180.4
    1,2-diethoxyethane 261.27
    benzonitrile 287.72
    trioctyl phosphate 49.1
    1-bromopropane 247.87
    gamma-valerolactone 845.75
    n-decanol 45.94
    triethyl phosphate 96.59
    4-methyl-2-pentanol 98.96
    propionitrile 440.16
    vinylene carbonate 458.64
    1,1,2-trichlorotrifluoroethane 526.97
    DMS 274.93
    cumene 70.06
    2-octanol 43.68
    2-hexanone 190.28
    octyl acetate 83.26
    limonene 69.62
    1,2-dimethoxyethane 527.1
    ethyl orthosilicate 88.89
    tributyl phosphate 63.53
    diacetone alcohol 311.04
    N,N-dimethylaniline 160.71
    acrylonitrile 589.59
    aniline 275.87
    1,3-propanediol 323.46
    bromobenzene 355.21
    dibromomethane 609.03
    1,1,2,2-tetrachloroethane 811.12
    2-methyl-cyclohexyl acetate 136.15
    tetrabutyl urea 74.58
    diisobutyl methanol 59.76
    2-phenylethanol 211.49
    styrene 125.68
    dioctyl adipate 96.56
    dimethyl sulfate 414.04
    ethyl butyrate 159.21
    methyl lactate 235.46
    butyl lactate 97.85
    diethyl carbonate 139.36
    propanediol butyl ether 142.84
    triethyl orthoformate 113.13
    p-tert-butyltoluene 63.31
    methyl 4-tert-butylbenzoate 176.45
    morpholine 749.46
    tert-butylamine 191.5
    n-dodecanol 35.91
    dimethoxymethane 626.57
    ethylene carbonate 385.89
    cyrene 200.64
    2-ethoxyethyl acetate 238.63
    2-ethylhexyl acetate 133.4
    1,2,4-trichlorobenzene 355.19
    4-methylpyridine 466.45
    dibutyl ether 71.94
    2,6-dimethyl-4-heptanol 59.76
    DEF 295.49
    dimethyl isosorbide 352.91
    tetrachloroethylene 539.72
    eugenol 174.75
    triacetin 212.62
    span 80 128.04
    1,4-butanediol 120.68
    1,1-dichloroethane 729.67
    2-methyl-1-pentanol 92.7
    methyl formate 568.97
    2-methyl-1-butanol 136.95
    n-decane 8.79
    butyronitrile 315.36
    3,7-dimethyl-1-octanol 72.45
    1-chlorooctane 42.68
    1-chlorotetradecane 20.3
    n-nonane 7.0
    undecane 7.0
    tert-butylcyclohexane 14.63
    cyclooctane 8.96
    cyclopentanol 220.15
    tetrahydropyran 461.17
    tert-amyl methyl ether 159.8
    2,5,8-trioxanonane 339.49
    1-hexene 38.7
    2-isopropoxyethanol 210.24
    2,2,2-trifluoroethanol 326.59
    methyl butyrate 256.38

    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