Spiro(bicyclo(4.1.0)heptane-2,5'-(1,3)dioxane), 2',2',3,7,7-pentamethyl-, (1R,3S,6S)-rel-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    121251-67-0

    Molecular formula
    C15H26O2

    SMILES
    C[C@H]1CC[C@H]2[C@H](C2(C)C)C13COC(OC3)(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 86.8%
    Green 65.17%
    Spicy 52.84%
    Amber 51.57%
    Cedar 45.94%
    Dry 44.17%
    Herbal 43.1%
    Fruity 41.48%
    Fresh 38.18%
    Earthy 37.68%

     

    Flavor
    Green 58.68%
    Earthy 52.29%
    Herbal 48.12%
    Woody 47.02%
    Sweet 44.88%
    Camphor 43.24%
    Pine 40.6%
    Earth 38.03%
    Spicy 35.39%
    Minty 32.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.13 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    289°C

    Flash point

    • 87.78 ˚C est.

  • Synonyms

    • 121251-67-0
    • Spiro(bicyclo(4.1.0)heptane-2,5'-(1,3)dioxane), 2',2',3,7,7-pentamethyl-, (1R,3S,6S)-rel-
    • (1'R,3'S,6'S)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-bicyclo[4.1.0]heptane]
    • Spirobicyclo4.1.0heptane-2,5-1,3dioxane, 2,2,3,7,7-pentamethyl-, (1R,3S,6S)-rel-
    • Spiro(bicyclo(4.1.0)heptane-2,5'-(1,3)dioxane), 2',2',3,7,7-pentamethyl-, (1alpha,3alpha,6alpha)-
    • Spiro[bicyclo[4.1.0]heptane-2,5'-[1,3]dioxane], 2',2',3,7,7-pentamethyl-, (1R,3S,6S)-rel-
    • DTXSID10888255
    • SCHEMBL16204984
    • ORHSGDMSYGKJJY-SDDRHHMPSA-N
    • DTXCID301027535
    • rel-(1R,3R,6S)-2',2',3,7,7-Pentamethylspiro[bicyclo[4.1.0]heptane-2,5'-[1,3]dioxane]
    • Spirambrene

  • Applications

    Spiro(bicyclo(4.1.0)heptane-2,5'-(1,3)dioxane), 2',2',3,7,7-pentamethyl-, (1R,3S,6S)-rel-, CAS 121251-67-0 may be used as a fragrance ingredient or odorant and/or fixative in perfumery and cosmetic formulations; it may also find application in household products as a scent component, and can serve as a chiral building block or intermediate in industrial manufacturing for specialty chemicals, as well as a precursor for pharmaceutical, agrochemical, and polymer/plastic syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 177.79
    methanol 147.69
    isopropanol 163.98
    water 2.92
    ethyl acetate 220.05
    n-propanol 169.99
    acetone 173.43
    n-butanol 176.33
    acetonitrile 150.53
    DMF 179.05
    toluene 263.75
    isobutanol 145.2
    1,4-dioxane 419.42
    methyl acetate 194.03
    THF 519.43
    2-butanone 184.82
    n-pentanol 110.32
    sec-butanol 128.4
    n-hexane 41.1
    ethylene glycol 40.7
    NMP 190.46
    cyclohexane 105.67
    DMSO 122.99
    n-butyl acetate 189.83
    n-octanol 96.38
    chloroform 838.84
    n-propyl acetate 137.93
    acetic acid 173.02
    dichloromethane 516.64
    cyclohexanone 301.65
    propylene glycol 58.8
    isopropyl acetate 194.82
    DMAc 214.97
    2-ethoxyethanol 150.33
    isopentanol 157.35
    n-heptane 34.68
    ethyl formate 131.29
    1,2-dichloroethane 286.6
    n-hexanol 184.8
    2-methoxyethanol 227.52
    isobutyl acetate 137.58
    tetrachloromethane 164.37
    n-pentyl acetate 141.02
    transcutol 392.28
    n-heptanol 107.1
    ethylbenzene 134.77
    MIBK 154.99
    2-propoxyethanol 271.92
    tert-butanol 154.27
    MTBE 185.97
    2-butoxyethanol 172.53
    propionic acid 130.0
    o-xylene 157.45
    formic acid 72.23
    diethyl ether 207.3
    m-xylene 189.84
    p-xylene 185.95
    chlorobenzene 269.11
    dimethyl carbonate 108.96
    n-octane 14.69
    formamide 90.82
    cyclopentanone 289.54
    2-pentanone 176.25
    anisole 179.65
    cyclopentyl methyl ether 256.48
    gamma-butyrolactone 303.87
    1-methoxy-2-propanol 200.18
    pyridine 337.52
    3-pentanone 155.48
    furfural 283.6
    n-dodecane 13.59
    diethylene glycol 191.62
    diisopropyl ether 107.95
    tert-amyl alcohol 123.27
    acetylacetone 208.0
    n-hexadecane 16.13
    acetophenone 163.6
    methyl propionate 170.1
    isopentyl acetate 205.05
    trichloroethylene 518.58
    n-nonanol 94.26
    cyclohexanol 185.3
    benzyl alcohol 137.47
    2-ethylhexanol 118.56
    isooctanol 90.41
    dipropyl ether 128.11
    1,2-dichlorobenzene 236.12
    ethyl lactate 92.38
    propylene carbonate 219.4
    n-methylformamide 110.49
    2-pentanol 128.78
    n-pentane 49.05
    1-propoxy-2-propanol 194.98
    1-methoxy-2-propyl acetate 232.36
    2-(2-methoxypropoxy) propanol 153.7
    mesitylene 133.15
    ε-caprolactone 278.77
    p-cymene 95.34
    epichlorohydrin 342.38
    1,1,1-trichloroethane 334.23
    2-aminoethanol 88.97
    morpholine-4-carbaldehyde 271.07
    sulfolane 223.78
    2,2,4-trimethylpentane 29.38
    2-methyltetrahydrofuran 334.69
    n-hexyl acetate 183.54
    isooctane 25.86
    2-(2-butoxyethoxy)ethanol 188.93
    sec-butyl acetate 133.01
    tert-butyl acetate 186.02
    decalin 48.45
    glycerin 81.89
    diglyme 315.66
    acrylic acid 119.25
    isopropyl myristate 87.97
    n-butyric acid 191.81
    acetyl acetate 193.68
    di(2-ethylhexyl) phthalate 86.02
    ethyl propionate 139.8
    nitromethane 208.04
    1,2-diethoxyethane 178.28
    benzonitrile 191.1
    trioctyl phosphate 64.48
    1-bromopropane 215.52
    gamma-valerolactone 393.19
    n-decanol 69.68
    triethyl phosphate 93.95
    4-methyl-2-pentanol 103.42
    propionitrile 153.85
    vinylene carbonate 233.86
    1,1,2-trichlorotrifluoroethane 246.86
    DMS 172.51
    cumene 99.3
    2-octanol 73.98
    2-hexanone 127.66
    octyl acetate 100.67
    limonene 104.26
    1,2-dimethoxyethane 250.69
    ethyl orthosilicate 95.31
    tributyl phosphate 74.86
    diacetone alcohol 150.53
    N,N-dimethylaniline 126.56
    acrylonitrile 156.47
    aniline 206.45
    1,3-propanediol 141.06
    bromobenzene 302.97
    dibromomethane 386.36
    1,1,2,2-tetrachloroethane 458.63
    2-methyl-cyclohexyl acetate 142.13
    tetrabutyl urea 81.9
    diisobutyl methanol 82.91
    2-phenylethanol 182.63
    styrene 144.6
    dioctyl adipate 103.08
    dimethyl sulfate 118.9
    ethyl butyrate 145.21
    methyl lactate 107.57
    butyl lactate 113.81
    diethyl carbonate 120.79
    propanediol butyl ether 130.32
    triethyl orthoformate 134.15
    p-tert-butyltoluene 95.11
    methyl 4-tert-butylbenzoate 151.29
    morpholine 371.08
    tert-butylamine 128.49
    n-dodecanol 53.99
    dimethoxymethane 221.68
    ethylene carbonate 213.61
    cyrene 133.56
    2-ethoxyethyl acetate 186.8
    2-ethylhexyl acetate 178.1
    1,2,4-trichlorobenzene 270.24
    4-methylpyridine 317.29
    dibutyl ether 103.2
    2,6-dimethyl-4-heptanol 82.91
    DEF 159.95
    dimethyl isosorbide 236.14
    tetrachloroethylene 317.77
    eugenol 140.8
    triacetin 175.21
    span 80 131.65
    1,4-butanediol 61.79
    1,1-dichloroethane 322.53
    2-methyl-1-pentanol 110.31
    methyl formate 96.89
    2-methyl-1-butanol 139.65
    n-decane 22.7
    butyronitrile 164.75
    3,7-dimethyl-1-octanol 102.35
    1-chlorooctane 76.98
    1-chlorotetradecane 35.36
    n-nonane 20.02
    undecane 17.16
    tert-butylcyclohexane 39.97
    cyclooctane 42.18
    cyclopentanol 170.09
    tetrahydropyran 392.9
    tert-amyl methyl ether 141.74
    2,5,8-trioxanonane 211.85
    1-hexene 94.07
    2-isopropoxyethanol 129.03
    2,2,2-trifluoroethanol 96.4
    methyl butyrate 152.05

    Scent© AI

1 4

Suppliers

Suppliers Product Origin Purity MOQ Sample
Does your company supply this compound? Contact us to list your product here.

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