Anthracene

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  • Identifiers

    CAS number
    120-12-7

    Molecular formula
    C14H10

    SMILES
    C1=CC=C2C=C3C=CC=CC3=CC2=C1

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Pungent 53.65%
    Floral 51.77%
    Geranium 49.12%
    Rose 45.59%
    Metallic 43.92%
    Camphoreous 38.34%
    Green 35.39%
    Earthy 32.14%
    Animal 29.38%
    Orange 28.59%

     

    Flavor
    Geranium 42.94%
    Pungent 39.11%
    Rose 30.22%
    Fecal 29.14%
    Tar 28.87%
    Animal 28.86%
    Tarry 27.82%
    Plastic 26.55%
    Dry 25.05%
    Moth ball 23.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.08 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 421 to 424 °F (NTP, 1992)
    • 216 °C
    • 218 °C
    • 421-424 °F

    Boiling point

    • 644 °F at 760 mmHg (corrected); 439.7 °F at 53 mmHg, sublimes (NTP, 1992)
    • 341.3 °C
    • 342 °C
    • 644 °F

    Flash point

    • 155.64 ˚C est.
    • 250 °F (NTP, 1992)
    • 121 °C
    • 121.0 °C (249.8 °F) - closed cup
    • 250 °F (121 °C) (Closed cup)
    • 250 °F

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • In water, 4.34X10-2 mg/L at 24 °C
    • Insoluble in water
    • 1.29 mg/L at 25 °C in distilled water
    • 0.6 mg/L at 25 °C in salt water
    • For more Solubility (Complete) data for Anthracene (7 total), please visit the HSDB record page.
    • Solubility in water, g/100ml at 20 °C: 0.00013

  • Synonyms

    • ANTHRACENE
    • 120-12-7
    • Paranaphthalene
    • Anthracin
    • Tetra Olive N2G
    • Anthracen
    • Anthrazen
    • Anthracene, pure
    • Anthracen [German]
    • CCRIS 767
    • HSDB 702
    • CHEBI:35298
    • NSC 7958
    • EINECS 204-371-1
    • Anthraxcene
    • Acen
    • p-Naphthalene
    • AI3-00155
    • UNII-EH46A1TLD7
    • EH46A1TLD7
    • DTXSID0023878
    • Sterilite hop defoliant
    • NSC7958
    • Coal tar pitch volatiles:anthracene
    • NSC-7958
    • MFCD00001240
    • DTXCID203878
    • WLN: L C666J
    • EC 204-371-1
    • NCGC00163972-01
    • ANTHRACENE (IARC)
    • ANTHRACENE [IARC]
    • C14315
    • Anthracene, analytical standard
    • antraceno
    • AN3
    • CAS-120-12-7
    • Deuterated anthracene
    • acene
    • acenes
    • antracene
    • Azen
    • 9-Anthracene
    • ANTHRACENE (1,2,3,4,5,6,7,8,9,10-D10)
    • Anthracene, labeled with deuterium
    • Anthracene technical
    • Anthracene, Reagent
    • Coal tar pitch volatiles: anthracene
    • HRACENE
    • PARANAPTHALENE
    • Anthracene, Practical
    • ANTHRACENE [MI]
    • ANTHRACENE [HSDB]
    • Epitope ID:119716
    • A89200_ALDRICH
    • 40076_SUPELCO
    • 48567_SUPELCO
    • 48647_SUPELCO
    • 331481_ALDRICH
    • 46051_RIEDEL
    • CHEMBL333179
    • Anthracene, puriss., 99.0%
    • 10580_FLUKA
    • 34F - WFD F
    • Anthracene, reagent grade, 97%
    • CHEBI:35297
    • Anthracene, zone-refined, >=99%
    • 141062_SIAL
    • Anthracene, ReagentPlus(R), 99%
    • Anthracene (purified by sublimation)
    • Tox21_202226
    • Tox21_300014
    • Anthracene, sublimed grade, >=99%
    • BDBM50060894
    • STK398386
    • AKOS000119970
    • Anthracene polycyclic aromatic compound
    • AC-5799
    • FA01372
    • Anthracene 10 microg/mL in Acetonitrile
    • NCGC00163972-02
    • NCGC00163972-03
    • NCGC00254204-01
    • NCGC00259775-01
    • 54261-80-2
    • Anthracene 100 microg/mL in Acetonitrile
    • AS-14635
    • A0405
    • A0495
    • A0992
    • A3437
    • NS00010699
    • EN300-18023
    • Anthracene Zone Refined (number of passes:30)
    • D88363
    • Anthracene, vial of 250 mg, analytical standard
    • Anthracene, Zone Refined (number of passes:30)
    • A804437
    • Q422152
    • Anthracene, certified reference material, TraceCERT(R)
    • Anthracene, suitable for scintillation, >=99.0% (GC)
    • F0001-0328
    • InChI=1/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10
    • 204-371-1

  • Applications

    Anthracene (CAS 120-12-7) is primarily used as an industrial intermediate for the production of anthraquinone, a key precursor for traditional blue dyes and pigments used in inks, coatings, and plastics; it also serves as a building block in the synthesis of organic electronic materials and small-molecule semiconductors. In addition, anthracene crystals and derivatives are used in scintillation detectors for radiation detection, and the compound is studied as a photoactive material for specialty polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.46
    methanol 0.71
    isopropanol 0.85
    water 0.0
    ethyl acetate 23.88
    n-propanol 1.57
    acetone 11.27
    n-butanol 1.41
    acetonitrile 3.17
    DMF 23.59
    toluene 43.83
    isobutanol 0.99
    1,4-dioxane 53.34
    methyl acetate 18.21
    THF 110.13
    2-butanone 17.54
    n-pentanol 1.93
    sec-butanol 1.29
    n-hexane 2.55
    ethylene glycol 0.3
    NMP 45.34
    cyclohexane 3.13
    DMSO 13.83
    n-butyl acetate 37.73
    n-octanol 3.25
    chloroform 25.57
    n-propyl acetate 28.92
    acetic acid 3.49
    dichloromethane 49.72
    cyclohexanone 37.96
    propylene glycol 0.44
    isopropyl acetate 23.75
    DMAc 32.55
    2-ethoxyethanol 4.91
    isopentanol 1.51
    n-heptane 3.96
    ethyl formate 8.98
    1,2-dichloroethane 47.34
    n-hexanol 3.71
    2-methoxyethanol 4.85
    isobutyl acetate 27.25
    tetrachloromethane 6.83
    n-pentyl acetate 22.06
    transcutol 51.72
    n-heptanol 3.02
    ethylbenzene 49.46
    MIBK 14.79
    2-propoxyethanol 7.3
    tert-butanol 1.68
    MTBE 5.84
    2-butoxyethanol 6.12
    propionic acid 3.84
    o-xylene 28.73
    formic acid 0.44
    diethyl ether 12.31
    m-xylene 25.37
    p-xylene 42.06
    chlorobenzene 17.19
    dimethyl carbonate 20.14
    n-octane 2.99
    formamide 1.88
    cyclopentanone 67.6
    2-pentanone 15.72
    anisole 70.88
    cyclopentyl methyl ether 30.09
    gamma-butyrolactone 75.21
    1-methoxy-2-propanol 4.37
    pyridine 67.69
    3-pentanone 20.72
    furfural 54.02
    n-dodecane 2.14
    diethylene glycol 3.65
    diisopropyl ether 8.61
    tert-amyl alcohol 2.13
    acetylacetone 43.35
    n-hexadecane 2.69
    acetophenone 57.95
    methyl propionate 18.34
    isopentyl acetate 39.19
    trichloroethylene 90.04
    n-nonanol 4.14
    cyclohexanol 2.49
    benzyl alcohol 12.09
    2-ethylhexanol 6.34
    isooctanol 3.56
    dipropyl ether 31.01
    1,2-dichlorobenzene 30.94
    ethyl lactate 8.34
    propylene carbonate 44.01
    n-methylformamide 4.69
    2-pentanol 1.31
    n-pentane 0.83
    1-propoxy-2-propanol 8.13
    1-methoxy-2-propyl acetate 41.71
    2-(2-methoxypropoxy) propanol 20.28
    mesitylene 20.19
    ε-caprolactone 43.92
    p-cymene 26.94
    epichlorohydrin 77.36
    1,1,1-trichloroethane 33.05
    2-aminoethanol 0.7
    morpholine-4-carbaldehyde 47.54
    sulfolane 64.94
    2,2,4-trimethylpentane 1.42
    2-methyltetrahydrofuran 42.29
    n-hexyl acetate 25.41
    isooctane 1.37
    2-(2-butoxyethoxy)ethanol 17.59
    sec-butyl acetate 29.87
    tert-butyl acetate 35.84
    decalin 8.7
    glycerin 0.95
    diglyme 60.52
    acrylic acid 4.28
    isopropyl myristate 21.36
    n-butyric acid 6.17
    acetyl acetate 34.15
    di(2-ethylhexyl) phthalate 16.27
    ethyl propionate 36.51
    nitromethane 13.37
    1,2-diethoxyethane 54.92
    benzonitrile 18.07
    trioctyl phosphate 8.47
    1-bromopropane 15.74
    gamma-valerolactone 67.37
    n-decanol 3.54
    triethyl phosphate 31.43
    4-methyl-2-pentanol 1.72
    propionitrile 5.0
    vinylene carbonate 38.06
    1,1,2-trichlorotrifluoroethane 20.73
    DMS 50.51
    cumene 33.35
    2-octanol 2.7
    2-hexanone 25.6
    octyl acetate 17.9
    limonene 23.9
    1,2-dimethoxyethane 38.61
    ethyl orthosilicate 27.61
    tributyl phosphate 13.34
    diacetone alcohol 15.54
    N,N-dimethylaniline 55.13
    acrylonitrile 7.83
    aniline 10.89
    1,3-propanediol 1.22
    bromobenzene 29.82
    dibromomethane 27.65
    1,1,2,2-tetrachloroethane 50.05
    2-methyl-cyclohexyl acetate 46.5
    tetrabutyl urea 21.83
    diisobutyl methanol 8.18
    2-phenylethanol 15.63
    styrene 46.17
    dioctyl adipate 34.28
    dimethyl sulfate 30.63
    ethyl butyrate 52.23
    methyl lactate 5.78
    butyl lactate 9.84
    diethyl carbonate 40.8
    propanediol butyl ether 4.61
    triethyl orthoformate 37.08
    p-tert-butyltoluene 25.34
    methyl 4-tert-butylbenzoate 43.09
    morpholine 31.0
    tert-butylamine 1.36
    n-dodecanol 3.42
    dimethoxymethane 23.06
    ethylene carbonate 27.54
    cyrene 23.18
    2-ethoxyethyl acetate 39.21
    2-ethylhexyl acetate 42.95
    1,2,4-trichlorobenzene 41.36
    4-methylpyridine 37.61
    dibutyl ether 24.12
    2,6-dimethyl-4-heptanol 8.18
    DEF 25.51
    dimethyl isosorbide 80.98
    tetrachloroethylene 33.38
    eugenol 25.37
    triacetin 41.18
    span 80 14.26
    1,4-butanediol 0.64
    1,1-dichloroethane 13.95
    2-methyl-1-pentanol 3.08
    methyl formate 6.3
    2-methyl-1-butanol 1.58
    n-decane 3.27
    butyronitrile 4.36
    3,7-dimethyl-1-octanol 5.49
    1-chlorooctane 9.8
    1-chlorotetradecane 6.17
    n-nonane 2.89
    undecane 2.58
    tert-butylcyclohexane 7.55
    cyclooctane 3.25
    cyclopentanol 3.66
    tetrahydropyran 29.53
    tert-amyl methyl ether 9.14
    2,5,8-trioxanonane 48.12
    1-hexene 8.35
    2-isopropoxyethanol 5.52
    2,2,2-trifluoroethanol 2.1
    methyl butyrate 36.46

    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