1-Methylnaphthalene

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  • Identifiers

    CAS number
    90-12-0

    Molecular formula
    C11H10

    SMILES
    CC1=CC=CC2=CC=CC=C12

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1310.0
    • Carbowax: 1875.0

  • Odor profile

    Floral 60.74%
    Green 52.43%
    Sweet 48.84%
    Woody 48.03%
    Camphoreous 42.94%
    Earthy 42.76%
    Geranium 40.07%
    Oily 39.54%
    Rose 39.09%
    Pungent 38.46%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.02 [mmHg]. Odor threshold = 0.02 ppm at 60 °C (detection)
    • THE ODOR THRESHOLD VALUE OF 1-METHYL NAPHTHALENE DETECTED @ ROOM TEMP & 60 DEG WAS 0.02 PPM.

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -8 °F (NTP, 1992)
    • -30.43 °C
    • Melting point: -22 °C
    • -22 °C
    • -8 °F

    Boiling point

    • 450 to 590 °F at 760 mmHg (NTP, 1992)
    • 464 to 469 °F at 760 mmHg (NTP, 1992)
    • 244 °C
    • 241.00 to 245.00 °C. @ 760.00 mm Hg
    • 245 °C
    • 464-469 °F

    Flash point est.
    98.36 ˚C

    Flash point expt.

    • greater than 200 °F (NTP, 1992)
    • 180 °F (NTP, 1992)
    • This chemical has a flash point of >93 °C (>200 °F). It is probably combustible.
    • 180 °F (82 °C) Closed cup
    • 82 °C
    • 180 °F

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • In water, 25.0 mg/L at 25 °C
    • In water, 25.8 mg/L at 25 °C
    • Very soluble in ethanol and ether; soluble in benzene
    • 0.0258 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 0.003
    • Insoluble in water; Soluble in oils
    • Soluble (in ethanol)

  • Synonyms

    • 1-METHYLNAPHTHALENE
    • 90-12-0
    • METHYLNAPHTHALENE
    • alpha-Methylnaphthalene
    • 1321-94-4
    • Naphthalene, methyl-
    • Naphthalene, 1-methyl-
    • 1-methyl-naphthalene
    • 1-Methylnapththalene
    • alpha-methyl naphthalenes
    • FEMA No. 3193
    • FEMA Number 3193
    • Methyl naphthalene
    • .alpha.-Methylnaphthalene
    • Naphthalene, alpha-methyl-
    • 1-Methyl naphthalene
    • Methyl-1-naphthalene
    • CCRIS 6151
    • HSDB 5268
    • methyl-naphthalene
    • NSC 3574
    • EINECS 201-966-8
    • UNII-E7SK1Y1311
    • DTXSID9020877
    • CHEBI:50717
    • MECHINAFU H
    • METHYNAPH H
    • naphthalene, 1-methyl
    • AI3-15378
    • alpha-methyl-naphthalene
    • E7SK1Y1311
    • NSC-3574
    • MFCD00004034
    • DTXCID30877
    • CHEMBL383808
    • EC 201-966-8
    • 1-METHYLNAPHTHALENE [FHFI]
    • 1-METHYLNAPHTHALENE [HSDB]
    • 1-Methylnaphthalene, analytical standard
    • CAS-90-12-0
    • 1Methylnaphthalene
    • 1-methylnaphtalene
    • a-methylnaphthalene
    • alpha-Methylnaftalen
    • Naphthalene, 1-methyl-; 1-Methylnaphthalene; Mechinafu H; Methynaph H; NSC 3574; a-Methylnaphthalene
    • a-methyl-naphthalene
    • alphamethylnaphthalene
    • Naphthalene, 1methyl
    • Naphthalene, alphamethyl
    • Naphthalene, alpha-methyl
    • bmse000531
    • 1-Methylnaphthalene, 95%
    • 1-Methylnaphthalene, 96%
    • MLS001050152
    • BIDD:ER0662
    • 1-Methylnaphthalene, >=95%
    • WLN: L66J B1
    • FEMA 3193
    • DTXSID10225161
    • NSC3574
    • Tox21_201768
    • Tox21_300339
    • BDBM50159279
    • STL283953
    • AKOS000120012
    • MSK000683-100T
    • NCGC00091700-01
    • NCGC00091700-02
    • NCGC00091700-03
    • NCGC00254488-01
    • NCGC00259317-01
    • AS-88435
    • PD124014
    • SMR001216533
    • DB-049234
    • DB-078596
    • M0371
    • NS00002590
    • EN300-19783
    • 1-Methylnaphthalene 10 microg/mL in Cyclohexane
    • 1-Methylnaphthalene 10 microg/mL in Acetonitrile
    • A843450
    • Q161656
    • 1-Methylnaphthalene Solution in Toluene, 100ug/mL
    • Z104475342
    • Flavor and Extract Manufacturers' Association Number 3193
    • 1-Methylnaphthalene, TraceCERT(R), certified reference material
    • 201-966-8

  • Applications

    1-Methylnaphthalene (CAS 90-12-0) is a pale yellow aromatic liquid valued for several functions: in the fuel sector it serves as the reference compound with a cetane number of zero, enabling calibration of diesel engines and formulation of cleaner, more efficient fuels; combustion scientists employ it as a model species to study soot propensity, oxidation kinetics and polycyclic aromatic hydrocarbon formation, insights that guide the development of low-emission engines; as a specialty chemical it is an intermediate for dyes, detergents, pesticides, plasticizers and certain pharmaceuticals because it undergoes selective sulfonation, oxidation or alkylation; it is also used as a heat-transfer medium, a hydrophobic extraction solvent in laboratories, a calibration standard in chromatography and a fluorescence dopant in spectroscopic equipment, demonstrating remarkable versatility provided that strict safety measures are observed due to its flammability and potential toxicity.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 243.71
    methanol 206.1
    isopropanol 175.24
    water 0.26
    ethyl acetate 1200.87
    n-propanol 241.51
    acetone 1215.08
    n-butanol 256.17
    acetonitrile 1030.53
    DMF 1066.2
    toluene 1114.47
    isobutanol 175.93
    1,4-dioxane 4112.14
    methyl acetate 1099.03
    THF 3028.0
    2-butanone 998.77
    n-pentanol 250.67
    sec-butanol 178.17
    n-hexane 533.48
    ethylene glycol 28.78
    NMP 1146.6
    cyclohexane 493.14
    DMSO 995.62
    n-butyl acetate 2230.42
    n-octanol 268.43
    chloroform 2057.98
    n-propyl acetate 1168.97
    acetic acid 200.69
    dichloromethane 2834.43
    cyclohexanone 1925.28
    propylene glycol 26.78
    isopropyl acetate 754.31
    DMAc 580.83
    2-ethoxyethanol 369.76
    isopentanol 242.15
    n-heptane 347.49
    ethyl formate 590.88
    1,2-dichloroethane 2516.29
    n-hexanol 507.04
    2-methoxyethanol 400.54
    isobutyl acetate 818.66
    tetrachloromethane 545.88
    n-pentyl acetate 712.25
    transcutol 1447.34
    n-heptanol 233.27
    ethylbenzene 749.24
    MIBK 651.94
    2-propoxyethanol 755.45
    tert-butanol 261.87
    MTBE 714.56
    2-butoxyethanol 373.61
    propionic acid 229.23
    o-xylene 492.4
    formic acid 34.02
    diethyl ether 1763.71
    m-xylene 593.41
    p-xylene 758.4
    chlorobenzene 964.85
    dimethyl carbonate 476.79
    n-octane 170.04
    formamide 107.77
    cyclopentanone 1940.63
    2-pentanone 954.72
    anisole 1181.56
    cyclopentyl methyl ether 1689.63
    gamma-butyrolactone 1948.81
    1-methoxy-2-propanol 326.76
    pyridine 1846.98
    3-pentanone 967.72
    furfural 1138.13
    n-dodecane 105.41
    diethylene glycol 278.31
    diisopropyl ether 563.73
    tert-amyl alcohol 216.29
    acetylacetone 1087.03
    n-hexadecane 124.96
    acetophenone 740.2
    methyl propionate 861.72
    isopentyl acetate 1297.58
    trichloroethylene 2771.88
    n-nonanol 252.35
    cyclohexanol 384.9
    benzyl alcohol 335.18
    2-ethylhexanol 454.44
    isooctanol 213.84
    dipropyl ether 1444.84
    1,2-dichlorobenzene 783.98
    ethyl lactate 218.3
    propylene carbonate 967.06
    n-methylformamide 409.15
    2-pentanol 219.67
    n-pentane 238.32
    1-propoxy-2-propanol 587.3
    1-methoxy-2-propyl acetate 956.3
    2-(2-methoxypropoxy) propanol 344.14
    mesitylene 427.1
    ε-caprolactone 1557.25
    p-cymene 351.05
    epichlorohydrin 2615.15
    1,1,1-trichloroethane 1715.36
    2-aminoethanol 57.66
    morpholine-4-carbaldehyde 1581.29
    sulfolane 1691.38
    2,2,4-trimethylpentane 92.96
    2-methyltetrahydrofuran 2184.53
    n-hexyl acetate 907.49
    isooctane 106.42
    2-(2-butoxyethoxy)ethanol 509.8
    sec-butyl acetate 740.33
    tert-butyl acetate 835.43
    decalin 287.49
    glycerin 48.12
    diglyme 1304.27
    acrylic acid 179.14
    isopropyl myristate 419.62
    n-butyric acid 398.1
    acetyl acetate 724.86
    di(2-ethylhexyl) phthalate 198.39
    ethyl propionate 982.82
    nitromethane 855.9
    1,2-diethoxyethane 1832.16
    benzonitrile 675.32
    trioctyl phosphate 186.13
    1-bromopropane 1404.34
    gamma-valerolactone 2066.19
    n-decanol 208.45
    triethyl phosphate 366.7
    4-methyl-2-pentanol 166.64
    propionitrile 753.22
    vinylene carbonate 917.19
    1,1,2-trichlorotrifluoroethane 507.15
    DMS 850.42
    cumene 423.72
    2-octanol 204.79
    2-hexanone 1073.13
    octyl acetate 458.14
    limonene 531.74
    1,2-dimethoxyethane 1651.52
    ethyl orthosilicate 362.56
    tributyl phosphate 259.75
    diacetone alcohol 465.15
    N,N-dimethylaniline 645.39
    acrylonitrile 778.71
    aniline 505.65
    1,3-propanediol 131.92
    bromobenzene 1280.13
    dibromomethane 1975.5
    1,1,2,2-tetrachloroethane 1761.74
    2-methyl-cyclohexyl acetate 678.6
    tetrabutyl urea 357.16
    diisobutyl methanol 296.33
    2-phenylethanol 489.23
    styrene 880.3
    dioctyl adipate 453.69
    dimethyl sulfate 568.17
    ethyl butyrate 1241.86
    methyl lactate 171.28
    butyl lactate 262.32
    diethyl carbonate 675.22
    propanediol butyl ether 197.35
    triethyl orthoformate 650.48
    p-tert-butyltoluene 339.78
    methyl 4-tert-butylbenzoate 459.25
    morpholine 2365.13
    tert-butylamine 226.21
    n-dodecanol 180.84
    dimethoxymethane 1222.08
    ethylene carbonate 924.17
    cyrene 324.16
    2-ethoxyethyl acetate 872.3
    2-ethylhexyl acetate 1282.62
    1,2,4-trichlorobenzene 799.19
    4-methylpyridine 1718.05
    dibutyl ether 1039.24
    2,6-dimethyl-4-heptanol 296.33
    DEF 1134.15
    dimethyl isosorbide 901.74
    tetrachloroethylene 1318.87
    eugenol 376.2
    triacetin 516.83
    span 80 288.97
    1,4-butanediol 66.43
    1,1-dichloroethane 1595.45
    2-methyl-1-pentanol 237.22
    methyl formate 449.29
    2-methyl-1-butanol 215.07
    n-decane 179.4
    butyronitrile 724.62
    3,7-dimethyl-1-octanol 272.02
    1-chlorooctane 495.35
    1-chlorotetradecane 206.37
    n-nonane 198.42
    undecane 134.37
    tert-butylcyclohexane 262.01
    cyclooctane 256.18
    cyclopentanol 381.94
    tetrahydropyran 2739.93
    tert-amyl methyl ether 547.31
    2,5,8-trioxanonane 745.23
    1-hexene 995.47
    2-isopropoxyethanol 336.27
    2,2,2-trifluoroethanol 91.72
    methyl butyrate 1163.13

    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
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.04%