DIBENZO(a,l)PYRENE

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  • Identifiers

    CAS number
    191-30-0

    Molecular formula
    C24H14

    SMILES
    C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 66.88%
    Animal 35.45%
    Fruity 32.99%
    Geranium 32.91%
    Rose 32.55%
    Pungent 31.23%
    Metallic 26.72%
    Orange 24.63%
    Neroli 20.8%
    Grape 19.79%

     

    Flavor
    Bitter 75.21%
    Animal 22.46%
    Very strong 18.31%
    Indole 17.62%
    Moth ball 17.16%
    Tar 17.09%
    Naphthelene 16.76%
    Tarry 16.53%
    Nitrile 15.97%
    Rotten 15.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    6.71 (neutral)

    Molecular weight
    302.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 164.5 °C
    • MP: 164-165 °C

    Boiling point

    • 630.6 °C

    Flash point

    • 264.29 ˚C est.

    Solubility expt.

    • Water insoluble
    • Soluble in concentrated sulfuric acid
    • Soluble in olive oil

  • Synonyms

    • Dibenzo[a,l]pyrene
    • Dibenzo[def,p]chrysene
    • 191-30-0
    • DIBENZO(A,L)PYRENE
    • 1,2,9,10-Dibenzopyrene
    • 4,5,6,7-Dibenzpyrene
    • 1,2:3,4-Dibenzopyrene
    • Dibenzopyrene
    • DB(a,l)P
    • 2,3:4,5-Dibenzopyrene
    • Dibenzo(def,p)chrysene
    • Dibenzo(a,d)pyrene
    • Dibenzo(d,e,f,p)chrysene
    • 1,2,3,4-Dibenzpyrene
    • BA 51-090462
    • NSC 90324
    • naphtho[1,2,3,4-pqr]tetraphene
    • 1,2:9,10-Dibenzopyrene
    • CCRIS 210
    • HSDB 4029
    • 2,3:4,5-Dibenzpyrene
    • dibenz[a,l]pyrene
    • EINECS 205-886-4
    • UNII-G3X629VE4A
    • BRN 2054068
    • NSC-90324
    • 4,5:6,7-Dibenzpyrene
    • G3X629VE4A
    • DTXSID9059753
    • dibenz(a,l)pyrene
    • DIBENZO(A,L)PYRENE [HSDB]
    • DIBENZO(A,L)PYRENE [IARC]
    • Dibenzo[a,d]pyrene
    • NSC90324
    • hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
    • naphtho(1,2,3,4-pqr)tetraphene
    • DIBENZO(A,L)PYRENE (IARC)
    • hexacyclo(10.10.2.02,7.08,24.015,23.017,22)tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
    • 1,4-Dibenzopyrene
    • 1,3,4-Dibenzpyrene
    • 4,6,7-Dibenzpyrene
    • Dibenzo (a,l) pyrene
    • Dibenzo[d,f,p]chrysene
    • 1,2,3,4Dibenzpyrene
    • 4,5,6,7Dibenzpyrene
    • 1,2:3,4Dibenzopyrene
    • 1,9,10-Dibenzopyrene
    • 2,3:4,5Dibenzopyrene
    • 1,2,9,10Dibenzopyrene
    • Dibenzo[a,l]pyrene 10 microg/mL in Cyclohexane
    • Dibenzo[a,l]pyrene 10 microg/mL in Acetonitrile
    • DB(A,1)P
    • DTXCID4036011
    • CHEBI:35861
    • Dibenzo[a,l]pyrene, vial of 25 mg
    • MSK000303
    • AKOS024319580
    • Ba 51090462
    • DB-360230
    • NS00019597
    • C19174
    • WLN: L D66 K666 B6 2AB A & J
    • Q26840756
    • Dibenzo[a,l]pyrene, BCR(R) certified Reference Material
    • 1,2,9,10-Dibenzopyrene;1,2:3,4-Dibenzopyrene;Dibenzo[a,l]pyrene

  • Applications

    DIBENZO(a,l)PYRENE is a high-molecular-weight PAH commonly used as an analytical standard and reference material for quantifying PAHs in environmental samples (soil, water, air) by GC–MS/LC–MS; it also serves as a research chemical for toxicology, mutagenicity, and carcinogenicity studies of heavy PAHs; in environmental and occupational health programs it functions as a marker for pollution and exposure assessment and is used in method development and quality control in analytical laboratories under regulatory frameworks; in combustion and materials research it is employed as a model compound to investigate PAH formation pathways during industrial processes; and it may participate in inter-laboratory comparison exercises as a reference compound.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.03
    methanol 0.02
    isopropanol 0.02
    water 0.0
    ethyl acetate 0.41
    n-propanol 0.05
    acetone 0.19
    n-butanol 0.04
    acetonitrile 0.03
    DMF 1.52
    toluene 2.14
    isobutanol 0.04
    1,4-dioxane 2.38
    methyl acetate 0.36
    THF 6.31
    2-butanone 0.52
    n-pentanol 0.06
    sec-butanol 0.04
    n-hexane 0.01
    ethylene glycol 0.02
    NMP 6.91
    cyclohexane 0.04
    DMSO 0.57
    n-butyl acetate 1.38
    n-octanol 0.3
    chloroform 0.68
    n-propyl acetate 0.77
    acetic acid 0.12
    dichloromethane 1.63
    cyclohexanone 1.86
    propylene glycol 0.02
    isopropyl acetate 0.64
    DMAc 3.2
    2-ethoxyethanol 0.27
    isopentanol 0.07
    n-heptane 0.06
    ethyl formate 0.21
    1,2-dichloroethane 1.44
    n-hexanol 0.17
    2-methoxyethanol 0.23
    isobutyl acetate 1.26
    tetrachloromethane 0.1
    n-pentyl acetate 2.25
    transcutol 4.13
    n-heptanol 0.28
    ethylbenzene 2.19
    MIBK 0.66
    2-propoxyethanol 0.75
    tert-butanol 0.04
    MTBE 0.25
    2-butoxyethanol 0.98
    propionic acid 0.14
    o-xylene 1.76
    formic acid 0.03
    diethyl ether 0.21
    m-xylene 1.64
    p-xylene 1.75
    chlorobenzene 0.82
    dimethyl carbonate 1.03
    n-octane 0.07
    formamide 0.08
    cyclopentanone 3.76
    2-pentanone 0.4
    anisole 4.09
    cyclopentyl methyl ether 1.79
    gamma-butyrolactone 3.74
    1-methoxy-2-propanol 0.22
    pyridine 4.66
    3-pentanone 0.58
    furfural 4.82
    n-dodecane 0.08
    diethylene glycol 0.36
    diisopropyl ether 0.21
    tert-amyl alcohol 0.09
    acetylacetone 1.64
    n-hexadecane 0.11
    acetophenone 4.27
    methyl propionate 0.58
    isopentyl acetate 2.59
    trichloroethylene 4.41
    n-nonanol 0.44
    cyclohexanol 0.11
    benzyl alcohol 0.92
    2-ethylhexanol 0.42
    isooctanol 0.36
    dipropyl ether 1.05
    1,2-dichlorobenzene 1.64
    ethyl lactate 0.54
    propylene carbonate 2.06
    n-methylformamide 0.18
    2-pentanol 0.04
    n-pentane 0.01
    1-propoxy-2-propanol 0.71
    1-methoxy-2-propyl acetate 3.72
    2-(2-methoxypropoxy) propanol 3.44
    mesitylene 1.18
    ε-caprolactone 2.54
    p-cymene 2.43
    epichlorohydrin 5.11
    1,1,1-trichloroethane 0.61
    2-aminoethanol 0.04
    morpholine-4-carbaldehyde 6.37
    sulfolane 6.59
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 1.9
    n-hexyl acetate 2.6
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 2.93
    sec-butyl acetate 1.13
    tert-butyl acetate 1.8
    decalin 0.19
    glycerin 0.08
    diglyme 8.34
    acrylic acid 0.23
    isopropyl myristate 2.31
    n-butyric acid 0.18
    acetyl acetate 0.81
    di(2-ethylhexyl) phthalate 3.19
    ethyl propionate 0.97
    nitromethane 0.32
    1,2-diethoxyethane 2.99
    benzonitrile 0.99
    trioctyl phosphate 1.33
    1-bromopropane 0.4
    gamma-valerolactone 6.05
    n-decanol 0.35
    triethyl phosphate 2.75
    4-methyl-2-pentanol 0.07
    propionitrile 0.08
    vinylene carbonate 2.02
    1,1,2-trichlorotrifluoroethane 2.85
    DMS 5.08
    cumene 1.91
    2-octanol 0.25
    2-hexanone 0.83
    octyl acetate 1.94
    limonene 1.73
    1,2-dimethoxyethane 1.75
    ethyl orthosilicate 2.62
    tributyl phosphate 1.57
    diacetone alcohol 1.0
    N,N-dimethylaniline 5.08
    acrylonitrile 0.18
    aniline 0.74
    1,3-propanediol 0.05
    bromobenzene 1.53
    dibromomethane 0.67
    1,1,2,2-tetrachloroethane 2.38
    2-methyl-cyclohexyl acetate 4.36
    tetrabutyl urea 3.28
    diisobutyl methanol 0.44
    2-phenylethanol 1.59
    styrene 1.74
    dioctyl adipate 4.92
    dimethyl sulfate 2.65
    ethyl butyrate 1.92
    methyl lactate 0.41
    butyl lactate 1.41
    diethyl carbonate 1.71
    propanediol butyl ether 0.7
    triethyl orthoformate 2.7
    p-tert-butyltoluene 2.4
    methyl 4-tert-butylbenzoate 7.99
    morpholine 1.63
    tert-butylamine 0.03
    n-dodecanol 0.3
    dimethoxymethane 1.07
    ethylene carbonate 1.08
    cyrene 4.17
    2-ethoxyethyl acetate 4.47
    2-ethylhexyl acetate 3.06
    1,2,4-trichlorobenzene 3.46
    4-methylpyridine 2.34
    dibutyl ether 1.31
    2,6-dimethyl-4-heptanol 0.44
    DEF 1.24
    dimethyl isosorbide 12.99
    tetrachloroethylene 1.61
    eugenol 5.49
    triacetin 5.05
    span 80 2.6
    1,4-butanediol 0.03
    1,1-dichloroethane 0.26
    2-methyl-1-pentanol 0.16
    methyl formate 0.22
    2-methyl-1-butanol 0.08
    n-decane 0.13
    butyronitrile 0.07
    3,7-dimethyl-1-octanol 0.5
    1-chlorooctane 0.69
    1-chlorotetradecane 0.42
    n-nonane 0.09
    undecane 0.1
    tert-butylcyclohexane 0.2
    cyclooctane 0.05
    cyclopentanol 0.16
    tetrahydropyran 1.16
    tert-amyl methyl ether 0.46
    2,5,8-trioxanonane 7.43
    1-hexene 0.09
    2-isopropoxyethanol 0.33
    2,2,2-trifluoroethanol 0.07
    methyl butyrate 1.09

    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