Dibenzosuberone

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  • Identifiers

    CAS number
    1210-35-1

    Molecular formula
    C15H12O

    SMILES
    C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 53.13%
    Sweet 39.8%
    Phenolic 39.73%
    Neroli 36.94%
    Animal 36.1%
    Powdery 33.33%
    Coumarinic 32.93%
    Herbal 32.42%
    Balsamic 31.12%
    Orange 30.1%

     

    Flavor
    Bitter 56.53%
    Animal 32.12%
    Balsam 29.21%
    Herbal 23.4%
    Naphthelene 22.92%
    Very strong 22.79%
    Moth ball 22.78%
    Indole 22.58%
    Tonka 22.5%
    Tar 22.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.94 (neutral)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    378°C

    Flash point

    • 165.23 ˚C est.

  • Synonyms

    • Dibenzosuberone
    • 1210-35-1
    • Dibenzocycloheptenone
    • Dibenzosuberan-5-one
    • Dibenzsuberone
    • 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-
    • 2,3:6,7-Dibenzosuberone
    • Dibenzo(a,d)cycloheptadien-5-one
    • 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one
    • Dibenzo(a,d)cyclohepta(1,4)dien-5-one
    • 10,11-Dihydrodibenzo(a,d)cyclohepten-5-one
    • 8ETK71TH0H
    • DTXSID4049400
    • 5H-Dibenzo(a,d)cyclohepten-5-one, 10,11-dihydro-
    • Dibenzo[a,d]cycloheptadien-5-one
    • 10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-ONE
    • NSC-49727
    • DTXCID4029359
    • Dibenzo[a,d]cyclohepta[1,4]dien-5-one
    • 10,11-Dihydrodibenzo[a,d]cyclohepten-5-one
    • RefChem:132853
    • 214-912-3
    • dibenzocycloheptanone
    • 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one
    • 5-Dibenzosuberone
    • Amitriptyline Impurity A
    • MFCD00003587
    • NSC 49727
    • tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
    • MLS002667303
    • 10,11-Dihydro-dibenzo[a,d]cyclohepten-5-one
    • 10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-one (Dibenzosuberone)
    • CAS-1210-35-1
    • Dibenzo(b,f)cycloheptan-1-one
    • CCRIS 2780
    • 10,11-Dihydro-5H-dibenzo[a,b]cyclohepten-5-one
    • 5,6-dihydrodibenzo[a,d][7]annulen-11-one
    • Dibenzocycloheptadienone
    • EINECS 214-912-3
    • UNII-8ETK71TH0H
    • 10,11-DIHYDRO-5H-DIBENZO(A,D)(7)ANNULEN-5-ONE
    • 10,11-Dihydrodibenzo(a,d)cycloheptanone
    • Dibenzosuberone CRS
    • 10,d]cycloheptanone
    • 2,7-Dibenzosuberone
    • Dibenzosuberone, 98%
    • 10,d]cyclohepten-5-one
    • Dibenzo[a,4]dien-5-one
    • Cyclobenzaprine Impurity 1
    • EC 214-912-3
    • Cyproheptadine EP impurity B
    • SCHEMBL44496
    • orb1310496
    • SCHEMBL3943765
    • SCHEMBL8161632
    • SCHEMBL8161641
    • SCHEMBL8161643
    • SCHEMBL8162675
    • SCHEMBL8174906
    • CHEMBL1905787
    • SCHEMBL29408351
    • SCHEMBL29437756
    • HMS3087F23
    • BB_SC-07255
    • NSC49727
    • Tox21_113809
    • Tox21_202972
    • BBL011742
    • EBC-12935
    • SBB056782
    • STL163381
    • AKOS000119592
    • tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
    • AC-8770
    • CCG-295907
    • GS-3306
    • ID21532
    • NCGC00253685-01
    • NCGC00260518-01
    • PD065610
    • SMR001557071
    • SY015231
    • DB-041598
    • Dibenzosuberan-5-one, Dibenzocycloheptenone
    • CS-0008540
    • D1801
    • NS00009313
    • ST50825569
    • EN300-20187
    • 10,11-Dihydrodibenzo[a,d]cyclohept en-5-one
    • F11137
    • F90394
    • F466542
    • 10,11-dihydro-5H- dibenzo[a,b]cyclohepten-5-one
    • 10,11-dihydro-5H-dibenzo[a,d]-cyclohepten-5-one
    • 10,11-Dihydro-5H-dibenzo[a,d]cycloheptatrien-5-one
    • Q27270267
    • 10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTAN-5-ONE
    • Z104477202
    • AMITRIPTYLINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
    • AMITRIPTYLINE RELATED COMPOUND A, REFERENCE STANDARD
    • NORTRIPTYLINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
    • Dibenzosuberone, European Pharmacopoeia (EP) Reference Standard
    • tricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
    • Nortriptyline hydrochloride EP Impurity A; Amitriptyline EP Impurity A; 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one
    • 1210-35-1

  • Applications

    Dibenzosuberone (CAS 1210-35-1) is primarily used in perfumery as a fragrance ingredient and fixative to extend the longevity of scent in formulations. It is commonly employed as an intermediate in the synthesis of additional aroma compounds for fragrance development. In cosmetics and personal care, it may be used as a fragrance component that contributes to product notes and overall scent profiles. It can also appear in household products, such as detergents and air fresheners, where a lasting fragrance is desired. In industrial manufacturing, it serves as a building block for aroma chemistry, supporting the production of scent formulations used in consumer goods.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.97
    methanol 17.96
    isopropanol 17.72
    water 0.31
    ethyl acetate 128.05
    n-propanol 29.01
    acetone 161.26
    n-butanol 29.2
    acetonitrile 84.86
    DMF 579.3
    toluene 106.97
    isobutanol 25.11
    1,4-dioxane 251.59
    methyl acetate 139.06
    THF 264.17
    2-butanone 159.69
    n-pentanol 27.33
    sec-butanol 18.57
    n-hexane 10.07
    ethylene glycol 7.62
    NMP 425.09
    cyclohexane 22.54
    DMSO 104.92
    n-butyl acetate 105.87
    n-octanol 26.77
    chloroform 689.35
    n-propyl acetate 106.56
    acetic acid 56.65
    dichloromethane 651.82
    cyclohexanone 381.25
    propylene glycol 6.27
    isopropyl acetate 88.78
    DMAc 360.05
    2-ethoxyethanol 45.22
    isopentanol 30.88
    n-heptane 11.51
    ethyl formate 125.01
    1,2-dichloroethane 526.6
    n-hexanol 37.7
    2-methoxyethanol 70.26
    isobutyl acetate 75.75
    tetrachloromethane 93.99
    n-pentyl acetate 99.42
    transcutol 147.03
    n-heptanol 31.32
    ethylbenzene 79.12
    MIBK 84.08
    2-propoxyethanol 66.39
    tert-butanol 24.35
    MTBE 37.48
    2-butoxyethanol 58.23
    propionic acid 59.86
    o-xylene 75.98
    formic acid 16.75
    diethyl ether 79.33
    m-xylene 70.7
    p-xylene 97.58
    chlorobenzene 218.96
    dimethyl carbonate 130.22
    n-octane 8.92
    formamide 65.2
    cyclopentanone 422.75
    2-pentanone 133.94
    anisole 126.69
    cyclopentyl methyl ether 117.76
    gamma-butyrolactone 437.15
    1-methoxy-2-propanol 49.33
    pyridine 438.35
    3-pentanone 147.11
    furfural 356.35
    n-dodecane 6.27
    diethylene glycol 45.47
    diisopropyl ether 28.92
    tert-amyl alcohol 21.91
    acetylacetone 186.64
    n-hexadecane 7.58
    acetophenone 149.96
    methyl propionate 130.06
    isopentyl acetate 94.09
    trichloroethylene 978.93
    n-nonanol 27.12
    cyclohexanol 44.15
    benzyl alcohol 77.44
    2-ethylhexanol 35.16
    isooctanol 30.03
    dipropyl ether 52.26
    1,2-dichlorobenzene 228.98
    ethyl lactate 45.18
    propylene carbonate 240.13
    n-methylformamide 161.19
    2-pentanol 19.44
    n-pentane 6.78
    1-propoxy-2-propanol 46.6
    1-methoxy-2-propyl acetate 94.76
    2-(2-methoxypropoxy) propanol 53.08
    mesitylene 49.33
    ε-caprolactone 260.36
    p-cymene 41.2
    epichlorohydrin 426.4
    1,1,1-trichloroethane 302.68
    2-aminoethanol 15.42
    morpholine-4-carbaldehyde 311.1
    sulfolane 353.53
    2,2,4-trimethylpentane 5.08
    2-methyltetrahydrofuran 148.33
    n-hexyl acetate 104.72
    isooctane 4.71
    2-(2-butoxyethoxy)ethanol 67.14
    sec-butyl acetate 70.2
    tert-butyl acetate 82.14
    decalin 17.85
    glycerin 14.64
    diglyme 184.44
    acrylic acid 69.34
    isopropyl myristate 42.93
    n-butyric acid 89.61
    acetyl acetate 110.21
    di(2-ethylhexyl) phthalate 39.23
    ethyl propionate 99.42
    nitromethane 206.86
    1,2-diethoxyethane 96.78
    benzonitrile 169.98
    trioctyl phosphate 27.96
    1-bromopropane 139.02
    gamma-valerolactone 423.81
    n-decanol 20.57
    triethyl phosphate 56.11
    4-methyl-2-pentanol 18.3
    propionitrile 101.76
    vinylene carbonate 268.78
    1,1,2-trichlorotrifluoroethane 198.19
    DMS 136.39
    cumene 49.46
    2-octanol 23.99
    2-hexanone 102.24
    octyl acetate 49.26
    limonene 48.67
    1,2-dimethoxyethane 174.72
    ethyl orthosilicate 50.77
    tributyl phosphate 34.93
    diacetone alcohol 69.7
    N,N-dimethylaniline 89.32
    acrylonitrile 167.56
    aniline 93.8
    1,3-propanediol 27.28
    bromobenzene 244.1
    dibromomethane 347.84
    1,1,2,2-tetrachloroethane 589.72
    2-methyl-cyclohexyl acetate 75.34
    tetrabutyl urea 55.89
    diisobutyl methanol 25.41
    2-phenylethanol 77.77
    styrene 101.31
    dioctyl adipate 57.03
    dimethyl sulfate 172.79
    ethyl butyrate 90.1
    methyl lactate 54.13
    butyl lactate 53.32
    diethyl carbonate 73.58
    propanediol butyl ether 32.69
    triethyl orthoformate 67.02
    p-tert-butyltoluene 37.1
    methyl 4-tert-butylbenzoate 93.45
    morpholine 200.72
    tert-butylamine 18.6
    n-dodecanol 16.92
    dimethoxymethane 185.73
    ethylene carbonate 213.88
    cyrene 86.94
    2-ethoxyethyl acetate 117.68
    2-ethylhexyl acetate 84.03
    1,2,4-trichlorobenzene 242.24
    4-methylpyridine 300.4
    dibutyl ether 54.38
    2,6-dimethyl-4-heptanol 25.41
    DEF 222.69
    dimethyl isosorbide 134.83
    tetrachloroethylene 440.44
    eugenol 86.07
    triacetin 97.82
    span 80 45.89
    1,4-butanediol 13.22
    1,1-dichloroethane 270.94
    2-methyl-1-pentanol 30.11
    methyl formate 145.5
    2-methyl-1-butanol 27.48
    n-decane 10.12
    butyronitrile 84.44
    3,7-dimethyl-1-octanol 26.83
    1-chlorooctane 42.15
    1-chlorotetradecane 17.54
    n-nonane 9.54
    undecane 7.61
    tert-butylcyclohexane 12.88
    cyclooctane 9.85
    cyclopentanol 53.7
    tetrahydropyran 176.58
    tert-amyl methyl ether 34.3
    2,5,8-trioxanonane 112.18
    1-hexene 33.58
    2-isopropoxyethanol 38.95
    2,2,2-trifluoroethanol 50.98
    methyl butyrate 143.08

    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