Bicyclo[3.1.0]hexan-2-one, 1,5-di-tert-butyl-3,3-dimethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    19377-95-8

    Molecular formula
    C16H28O

    SMILES
    CC1(CC2(CC2(C1=O)C(C)(C)C)C(C)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.68%
    Camphoreous 53.98%
    Dry 49.13%
    Amber 43.75%
    Herbal 43.26%
    Earthy 40.43%
    Vetiver 39.72%
    Cedar 39.28%
    Pine 37.88%
    Spicy 31.75%

     

    Flavor
    Camphor 52.99%
    Woody 48.84%
    Pine 31.78%
    Herbal 31.54%
    Musty 30.68%
    Green 29.62%
    Earthy 26.59%
    Phenolic 25.44%
    Pungent 24.22%
    Bitter 23.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.8 (neutral)

    Molecular weight
    236.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    291°C

    Flash point

    • 81.57 ˚C est.

  • Synonyms

    • 19377-95-8
    • Bicyclo[3.1.0]hexan-2-one, 1,5-di-tert-butyl-3,3-dimethyl-
    • 1,5-Ditert-butyl-3,3-dimethylbicyclo[3.1.0]hexan-2-one
    • 1,5-Di-tert-butyl-3,3-dimethylbicyclo[3.1.0]hexan-2-one
    • Bicyclo(3.1.0)hexan-2-one, 1,5-di-tert-butyl-3,3-dimethyl-
    • Bicyclo[3.1.0]hexan-2-one, 1,5-bis(1,1-dimethylethyl)-3,3-dimethyl-
    • Bicyclo[3.1.0]hexan-2-one,1,5-bis(1,1-dimethylethyl)-3,3-dimethyl-
    • 1,5-DI-TERT-BUTYL-3,3-DIMETHYLBICYCLO(3.1.0)HEXAN-2-ONE
    • BPSOBKPRRBSNAW-UHFFFAOYSA-N
    • DTXSID80941063
    • 1,5-di-t-butyl-3,3-dimethylbicyclo[3.1.0]hexan-2-one
    • 3,3-DIMETHYL-1,5-DITERT-BUTYL-BICYCLO[3.1.0]HEXAN-4-ONE
    • Bicyclo[3.1.0]hexan-2-one, 1,5-bis-tert.-butyl-3,3-dimethyl
    • 1,5-bis(1,1-Dimethylethyl)-3,3-dimethyl-bicyclo[3.1.0]hexan-2-one
    • 19377-95-8

  • Applications

    Bicyclo[3.1.0]hexan-2-one, 1,5-di-tert-butyl-3,3-dimethyl- (CAS 19377-95-8) is primarily used as a fragrance-related intermediate and odorant in perfumery, where its rigid bicyclic skeleton and bulky tert-butyl substituents can influence scent profiles and act as a fixative to help extend fragrance notes. It may serve as an intermediate in aroma chemical synthesis for cosmetics and personal care formulations, flavor/fragrance blends, and specialty polymers. It is also evaluated for use in household products and in coatings and inks as a scent-enhancing additive. Application scope is typically governed by formulation controls and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 463.95
    methanol 367.82
    isopropanol 635.99
    water 4.95
    ethyl acetate 1179.9
    n-propanol 548.0
    acetone 1375.51
    n-butanol 580.71
    acetonitrile 809.0
    DMF 1888.32
    toluene 1239.93
    isobutanol 521.54
    1,4-dioxane 1688.6
    methyl acetate 1211.32
    THF 2916.66
    2-butanone 1340.06
    n-pentanol 370.18
    sec-butanol 610.23
    n-hexane 176.1
    ethylene glycol 172.95
    NMP 1450.34
    cyclohexane 303.44
    DMSO 754.61
    n-butyl acetate 920.56
    n-octanol 456.57
    chloroform 2706.4
    n-propyl acetate 748.38
    acetic acid 385.36
    dichloromethane 1756.68
    cyclohexanone 1798.83
    propylene glycol 269.93
    isopropyl acetate 1003.95
    DMAc 1498.37
    2-ethoxyethanol 577.42
    isopentanol 546.02
    n-heptane 141.57
    ethyl formate 701.01
    1,2-dichloroethane 1226.67
    n-hexanol 622.39
    2-methoxyethanol 958.23
    isobutyl acetate 610.11
    tetrachloromethane 630.52
    n-pentyl acetate 766.77
    transcutol 711.03
    n-heptanol 429.27
    ethylbenzene 694.59
    MIBK 912.7
    2-propoxyethanol 994.51
    tert-butanol 762.67
    MTBE 1126.1
    2-butoxyethanol 704.96
    propionic acid 527.17
    o-xylene 759.27
    formic acid 155.99
    diethyl ether 951.46
    m-xylene 1008.79
    p-xylene 919.83
    chlorobenzene 1213.57
    dimethyl carbonate 709.83
    n-octane 100.04
    formamide 302.39
    cyclopentanone 2312.17
    2-pentanone 1206.88
    anisole 997.85
    cyclopentyl methyl ether 1467.94
    gamma-butyrolactone 2247.7
    1-methoxy-2-propanol 983.73
    pyridine 1487.71
    3-pentanone 1005.74
    furfural 1749.84
    n-dodecane 80.56
    diethylene glycol 574.34
    diisopropyl ether 525.21
    tert-amyl alcohol 638.17
    acetylacetone 1495.2
    n-hexadecane 96.01
    acetophenone 902.98
    methyl propionate 1071.28
    isopentyl acetate 971.35
    trichloroethylene 2556.55
    n-nonanol 413.61
    cyclohexanol 707.04
    benzyl alcohol 596.84
    2-ethylhexanol 422.61
    isooctanol 384.59
    dipropyl ether 534.96
    1,2-dichlorobenzene 1114.23
    ethyl lactate 433.35
    propylene carbonate 1401.15
    n-methylformamide 778.41
    2-pentanol 533.01
    n-pentane 187.0
    1-propoxy-2-propanol 760.11
    1-methoxy-2-propyl acetate 1079.29
    2-(2-methoxypropoxy) propanol 528.53
    mesitylene 667.72
    ε-caprolactone 1471.63
    p-cymene 430.84
    epichlorohydrin 2155.57
    1,1,1-trichloroethane 1714.59
    2-aminoethanol 286.82
    morpholine-4-carbaldehyde 1547.5
    sulfolane 1746.71
    2,2,4-trimethylpentane 126.23
    2-methyltetrahydrofuran 1788.93
    n-hexyl acetate 1018.58
    isooctane 120.29
    2-(2-butoxyethoxy)ethanol 594.59
    sec-butyl acetate 638.5
    tert-butyl acetate 1062.94
    decalin 188.49
    glycerin 331.31
    diglyme 1178.97
    acrylic acid 478.67
    isopropyl myristate 430.99
    n-butyric acid 737.36
    acetyl acetate 945.98
    di(2-ethylhexyl) phthalate 340.72
    ethyl propionate 787.67
    nitromethane 1187.62
    1,2-diethoxyethane 584.5
    benzonitrile 1016.81
    trioctyl phosphate 284.99
    1-bromopropane 837.27
    gamma-valerolactone 2372.24
    n-decanol 307.2
    triethyl phosphate 372.66
    4-methyl-2-pentanol 397.1
    propionitrile 871.52
    vinylene carbonate 1331.13
    1,1,2-trichlorotrifluoroethane 1189.22
    DMS 985.76
    cumene 458.19
    2-octanol 403.67
    2-hexanone 782.13
    octyl acetate 518.93
    limonene 478.95
    1,2-dimethoxyethane 1176.38
    ethyl orthosilicate 345.83
    tributyl phosphate 307.15
    diacetone alcohol 864.31
    N,N-dimethylaniline 704.68
    acrylonitrile 1015.91
    aniline 805.45
    1,3-propanediol 468.93
    bromobenzene 1394.38
    dibromomethane 1223.8
    1,1,2,2-tetrachloroethane 2012.02
    2-methyl-cyclohexyl acetate 608.18
    tetrabutyl urea 405.95
    diisobutyl methanol 307.63
    2-phenylethanol 782.48
    styrene 713.31
    dioctyl adipate 488.45
    dimethyl sulfate 977.23
    ethyl butyrate 662.08
    methyl lactate 548.69
    butyl lactate 532.97
    diethyl carbonate 476.92
    propanediol butyl ether 545.78
    triethyl orthoformate 475.77
    p-tert-butyltoluene 464.12
    methyl 4-tert-butylbenzoate 887.65
    morpholine 1583.49
    tert-butylamine 544.65
    n-dodecanol 236.34
    dimethoxymethane 1395.69
    ethylene carbonate 1090.28
    cyrene 630.41
    2-ethoxyethyl acetate 864.37
    2-ethylhexyl acetate 799.69
    1,2,4-trichlorobenzene 1197.0
    4-methylpyridine 1735.0
    dibutyl ether 465.72
    2,6-dimethyl-4-heptanol 307.63
    DEF 1108.18
    dimethyl isosorbide 1032.16
    tetrachloroethylene 1283.09
    eugenol 749.79
    triacetin 762.83
    span 80 481.39
    1,4-butanediol 230.82
    1,1-dichloroethane 1504.45
    2-methyl-1-pentanol 368.51
    methyl formate 776.72
    2-methyl-1-butanol 510.61
    n-decane 129.58
    butyronitrile 890.53
    3,7-dimethyl-1-octanol 435.46
    1-chlorooctane 397.92
    1-chlorotetradecane 179.86
    n-nonane 125.45
    undecane 99.61
    tert-butylcyclohexane 178.08
    cyclooctane 174.0
    cyclopentanol 866.12
    tetrahydropyran 1639.13
    tert-amyl methyl ether 824.48
    2,5,8-trioxanonane 714.84
    1-hexene 405.88
    2-isopropoxyethanol 495.87
    2,2,2-trifluoroethanol 336.74
    methyl butyrate 919.03

    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