Acenaphthene

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  • Identifiers

    CAS number
    83-32-9

    Molecular formula
    C12H10

    SMILES
    C1CC2=CC=CC3=C2C1=CC=C3

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 2394.0

  • Odor profile

    Floral 62.29%
    Animal 43.85%
    Rose 39.3%
    Geranium 33.85%
    Earthy 32.5%
    Fruity 31.67%
    Sweet 30.6%
    Metallic 29.67%
    Green 27.04%
    Orange 27.04%

    Scent© AI

    Odor threshold>

    • Odor detection in air, 8.0X10-2 ppm (chemically pure)
    • Threshhold odor concn in water at room temp: 0.08 ppm (range 0.02 to 0.22 ppm)
    • Odor low 0.5048 mg/cu m, odor high 0.5048 mg/cu m.

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 203 °F (NTP, 1992)
    • 93 °C
    • 95 °C

    Boiling point

    • 534 °F at 760 mmHg (NTP, 1992)
    • 277.5 °C
    • 279 °C

    Flash point est.
    125.71 ˚C

    Flash point expt.

    • 125.0 °C (257.0 °F) - closed cup
    • 135 °C o.c.

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • In water, 3.90 mg/L at 25 °C
    • In water, 3.57-3.93 mg/L at 22.2 to 25.04 °C (range of 7 values)
    • 1 gram dissolves in 31 mL alcohol, 56 mL methanol, 25 ml propanol, 2.5 mL chloroform, 5 mL benzene or toluene
    • 3.2 g/100 mL glacial acetic acid
    • Solubility in water, g/100ml at 25 °C: 0.0004

  • Synonyms

    • ACENAPHTHENE
    • 83-32-9
    • 1,2-Dihydroacenaphthylene
    • 1,8-Ethylenenaphthalene
    • peri-Ethylenenaphthalene
    • Naphthyleneethylene
    • Acenaphthylene, 1,2-dihydro-
    • Ethylenenaphthalene
    • 1,8-Dihydroacenaphthalene
    • acenapthene
    • CCRIS 5951
    • HSDB 2659
    • UNII-V8UT1GAC5Y
    • V8UT1GAC5Y
    • NSC 7657
    • EINECS 201-469-6
    • DTXSID3021774
    • CHEBI:22154
    • AI3-00128
    • NSC-7657
    • ACENAPHTHENE [MI]
    • MFCD00003807
    • ACENAPHTHENE [HSDB]
    • ACENAPHTHENE [IARC]
    • DTXCID201774
    • EC 201-469-6
    • ACENAPHTHENE (IARC)
    • CAS-83-32-9
    • Acenaphthene (1,2-Dihydro Acenaphthylene)
    • Acenaphtene
    • Acenafeno
    • Acenaphthene; 1,2-Dihydroacenaphthylene; peri-Ethylenenaphthalene; 1,8-Ethylenenaphthalene
    • Acenaphthene solution
    • Acenafeno (Spanish)
    • Acenaphthene, 97%
    • Acenaphthene, 99%
    • ACENAPHTHENE,
    • 1,8Ethylenenaphthalene
    • 1,2Dihydroacenaphthylene
    • 1,8Dihydroacenaphthalene
    • 1, 2-Dihydroacenaphthylene
    • PERIETHYLENENAPHTHALENE
    • Naphthalene, 1,8-ethylene-
    • BIDD:GT0787
    • CHEMBL1797271
    • Acenaphthene, analytical standard
    • 1,8-DIHYDROACENAPHTHYLENE
    • NSC7657
    • Tox21_202400
    • Tox21_300013
    • STL483068
    • AKOS000119983
    • FA06996
    • FS-4341
    • NCGC00163966-01
    • NCGC00163966-02
    • NCGC00163966-03
    • NCGC00163966-04
    • NCGC00254079-01
    • NCGC00259949-01
    • AC-19767
    • AI300128
    • Acenaphthene 10 microg/mL in Acetonitrile
    • Acenaphthene 100 microg/mL in Acetonitrile
    • DB-056708
    • A0003
    • A0135
    • NS00006748
    • EN300-17412
    • C19312
    • D97698
    • Acenaphthene Zone Refined (number of passes:30)
    • Q415103
    • 07C - Polycyclic Aromatic Hydrocarbons (2 Spikes)
    • 19C - Polycyclic Aromatic Hydrocarbons (2 Spikes)
    • Z56926550
    • 73BCD470-1E93-4E76-BF03-E06FB8FE00EA
    • Acenaphthene, certified reference material, TraceCERT(R)
    • F1908-0103
    • 201-469-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.32
    methanol 30.61
    isopropanol 20.96
    water 0.26
    ethyl acetate 178.04
    n-propanol 27.42
    acetone 162.3
    n-butanol 31.69
    acetonitrile 83.89
    DMF 252.97
    toluene 251.64
    isobutanol 24.82
    1,4-dioxane 532.12
    methyl acetate 154.72
    THF 505.34
    2-butanone 135.23
    n-pentanol 39.81
    sec-butanol 22.71
    n-hexane 68.86
    ethylene glycol 11.11
    NMP 408.92
    cyclohexane 83.66
    DMSO 165.19
    n-butyl acetate 265.49
    n-octanol 50.66
    chloroform 368.17
    n-propyl acetate 191.75
    acetic acid 47.67
    dichloromethane 469.36
    cyclohexanone 374.78
    propylene glycol 8.42
    isopropyl acetate 168.45
    DMAc 178.31
    2-ethoxyethanol 75.65
    isopentanol 37.98
    n-heptane 63.06
    ethyl formate 94.63
    1,2-dichloroethane 373.89
    n-hexanol 71.06
    2-methoxyethanol 78.02
    isobutyl acetate 188.95
    tetrachloromethane 130.11
    n-pentyl acetate 155.6
    transcutol 294.93
    n-heptanol 49.09
    ethylbenzene 170.43
    MIBK 144.81
    2-propoxyethanol 134.19
    tert-butanol 35.51
    MTBE 92.35
    2-butoxyethanol 88.67
    propionic acid 49.52
    o-xylene 157.44
    formic acid 12.96
    diethyl ether 150.81
    m-xylene 188.78
    p-xylene 192.89
    chlorobenzene 255.99
    dimethyl carbonate 159.29
    n-octane 37.76
    formamide 30.09
    cyclopentanone 459.16
    2-pentanone 153.15
    anisole 255.67
    cyclopentyl methyl ether 322.76
    gamma-butyrolactone 481.33
    1-methoxy-2-propanol 68.18
    pyridine 351.86
    3-pentanone 167.0
    furfural 360.17
    n-dodecane 26.06
    diethylene glycol 81.9
    diisopropyl ether 111.63
    tert-amyl alcohol 33.85
    acetylacetone 287.86
    n-hexadecane 30.77
    acetophenone 225.62
    methyl propionate 158.99
    isopentyl acetate 225.98
    trichloroethylene 548.14
    n-nonanol 53.74
    cyclohexanol 63.45
    benzyl alcohol 101.56
    2-ethylhexanol 82.84
    isooctanol 50.01
    dipropyl ether 217.03
    1,2-dichlorobenzene 251.71
    ethyl lactate 71.37
    propylene carbonate 276.49
    n-methylformamide 83.06
    2-pentanol 31.01
    n-pentane 33.76
    1-propoxy-2-propanol 104.35
    1-methoxy-2-propyl acetate 243.52
    2-(2-methoxypropoxy) propanol 105.74
    mesitylene 148.91
    ε-caprolactone 320.45
    p-cymene 107.97
    epichlorohydrin 474.61
    1,1,1-trichloroethane 311.31
    2-aminoethanol 15.73
    morpholine-4-carbaldehyde 440.2
    sulfolane 475.1
    2,2,4-trimethylpentane 24.93
    2-methyltetrahydrofuran 299.69
    n-hexyl acetate 189.28
    isooctane 27.59
    2-(2-butoxyethoxy)ethanol 130.18
    sec-butyl acetate 164.68
    tert-butyl acetate 215.1
    decalin 79.82
    glycerin 19.52
    diglyme 324.17
    acrylic acid 52.97
    isopropyl myristate 115.45
    n-butyric acid 80.21
    acetyl acetate 190.63
    di(2-ethylhexyl) phthalate 76.52
    ethyl propionate 199.01
    nitromethane 155.22
    1,2-diethoxyethane 273.36
    benzonitrile 162.61
    trioctyl phosphate 62.84
    1-bromopropane 174.56
    gamma-valerolactone 476.84
    n-decanol 45.84
    triethyl phosphate 130.01
    4-methyl-2-pentanol 34.96
    propionitrile 84.48
    vinylene carbonate 267.84
    1,1,2-trichlorotrifluoroethane 163.13
    DMS 267.8
    cumene 120.0
    2-octanol 40.65
    2-hexanone 181.17
    octyl acetate 117.37
    limonene 142.88
    1,2-dimethoxyethane 294.3
    ethyl orthosilicate 122.4
    tributyl phosphate 82.9
    diacetone alcohol 122.19
    N,N-dimethylaniline 190.25
    acrylonitrile 113.43
    aniline 125.75
    1,3-propanediol 27.16
    bromobenzene 339.58
    dibromomethane 308.06
    1,1,2,2-tetrachloroethane 354.11
    2-methyl-cyclohexyl acetate 185.37
    tetrabutyl urea 115.05
    diisobutyl methanol 69.35
    2-phenylethanol 126.13
    styrene 193.05
    dioctyl adipate 136.55
    dimethyl sulfate 221.45
    ethyl butyrate 224.76
    methyl lactate 60.58
    butyl lactate 78.55
    diethyl carbonate 157.36
    propanediol butyl ether 52.88
    triethyl orthoformate 166.55
    p-tert-butyltoluene 104.71
    methyl 4-tert-butylbenzoate 167.72
    morpholine 277.55
    tert-butylamine 32.75
    n-dodecanol 41.59
    dimethoxymethane 258.58
    ethylene carbonate 251.12
    cyrene 131.73
    2-ethoxyethyl acetate 209.45
    2-ethylhexyl acetate 223.58
    1,2,4-trichlorobenzene 261.28
    4-methylpyridine 316.32
    dibutyl ether 158.59
    2,6-dimethyl-4-heptanol 69.35
    DEF 220.9
    dimethyl isosorbide 287.84
    tetrachloroethylene 309.16
    eugenol 132.79
    triacetin 176.25
    span 80 88.45
    1,4-butanediol 19.15
    1,1-dichloroethane 217.58
    2-methyl-1-pentanol 47.5
    methyl formate 101.84
    2-methyl-1-butanol 33.14
    n-decane 39.53
    butyronitrile 84.1
    3,7-dimethyl-1-octanol 61.3
    1-chlorooctane 99.26
    1-chlorotetradecane 53.43
    n-nonane 39.72
    undecane 31.43
    tert-butylcyclohexane 67.32
    cyclooctane 60.26
    cyclopentanol 66.78
    tetrahydropyran 286.86
    tert-amyl methyl ether 94.66
    2,5,8-trioxanonane 222.43
    1-hexene 114.39
    2-isopropoxyethanol 77.51
    2,2,2-trifluoroethanol 37.57
    methyl butyrate 216.49

    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

Botanical

Name CAS Botanical Proportion
Artemisia variabilis (Italy) Artemisia variabilis Ten., fam. Asteraceae (Compositae) 1.0%