2-Isopropylnaphthalene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2027-17-0

    Molecular formula
    C13H14

    SMILES
    CC(C)C1=CC2=CC=CC=C2C=C1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 61.84%
    Spicy 60.08%
    Woody 56.43%
    Green 51.95%
    Earthy 47.04%
    Fresh 39.84%
    Terpenic 37.33%
    Citrus 36.6%
    Phenolic 36.03%
    Leathery 35.58%

     

    Flavor
    Woody 38.24%
    Spice 35.86%
    Citrus 31.42%
    Herb 29.31%
    Wood 29.18%
    Herbal 28.32%
    Gasoline 27.63%
    Terpene 26.79%
    Medicinal 25.92%
    Spicy 25.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.92 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 14.5 °C

    Boiling point

    • 268.2 °C

    Flash point

    • 118.52 ˚C est.
    • 122 °C
    • 122 °C (open cup)

    Solubility expt.

    • Insoluble in water; very soluble in ethanol, ethyl ether; soluble in benzene.

  • Synonyms

    • 2-ISOPROPYLNAPHTHALENE
    • 2027-17-0
    • Naphthalene, 2-(1-methylethyl)-
    • Naphthalene, 2-isopropyl-
    • beta-Isopropylnaphthalene
    • 4DTR9UN8SR
    • NSC-166466
    • DTXSID7051844
    • RefChem:473927
    • DTXCID5030400
    • 217-976-0
    • 2-iso-Propylnaphthalene
    • 2-propan-2-ylnaphthalene
    • 2-(propan-2-yl)naphthalene
    • 2-(1-Methylethyl)naphthalene
    • MFCD00014322
    • .beta.-Isopropylnaphthalene
    • 2-(methylethyl)naphthalene
    • 2-isopropylnaphthalene 10000 microg/mL in Hexadecane
    • HSDB 5863
    • EINECS 217-976-0
    • UNII-4DTR9UN8SR
    • NSC 166466
    • BRN 1099059
    • 2-isopropyl-naphthalene
    • 4-05-00-01723 (Beilstein Handbook Reference)
    • SCHEMBL198668
    • SCHEMBL397225
    • SCHEMBL517247
    • SCHEMBL599956
    • orb2942868
    • SCHEMBL7746357
    • SCHEMBL8574677
    • SCHEMBL8719774
    • SCHEMBL22418999
    • SCHEMBL28166206
    • SCHEMBL28166219
    • SCHEMBL29555341
    • SCHEMBL30928206
    • Naphthalene,2-(1-methylethyl)-
    • TVYVQNHYIHAJTD-UHFFFAOYSA-
    • NSC166466
    • SBB007801
    • 2-ISOPROPYLNAPHTHALENE [HSDB]
    • AKOS006229183
    • HY-W150166
    • AS-60733
    • SY048616
    • DB-045145
    • CS-0206654
    • I0327
    • NS00021819
    • ST50406959
    • H56904
    • Q27259457
    • InChI=1/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3
    • 2027-17-0

  • Applications

    2-Isopropylnaphthalene (CAS 2027-17-0) is used primarily as a fragrance ingredient and as a chemical intermediate in the synthesis of specialty compounds. It may also function as a nonpolar solvent or processing aid in industrial formulations. In coatings and inks it serves as a solvent component or processing aid to optimize solvency and film formation. In polymers and plastics it provides a building block for aryl-containing polymers and resins. It can appear in cosmetics and personal care and in household products as a fragrance ingredient or solvent component. It is also evaluated for use in cleaning formulations as a nonpolar solvent to solubilize hydrophobic materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 177.72
    methanol 75.29
    isopropanol 102.34
    water 0.01
    ethyl acetate 1235.33
    n-propanol 182.69
    acetone 995.7
    n-butanol 185.87
    acetonitrile 511.71
    DMF 686.66
    toluene 1308.08
    isobutanol 113.4
    1,4-dioxane 2135.34
    methyl acetate 846.22
    THF 2633.19
    2-butanone 1114.09
    n-pentanol 146.36
    sec-butanol 126.87
    n-hexane 389.76
    ethylene glycol 8.01
    NMP 516.14
    cyclohexane 339.92
    DMSO 300.95
    n-butyl acetate 1973.18
    n-octanol 111.54
    chloroform 1570.21
    n-propyl acetate 732.42
    acetic acid 94.96
    dichloromethane 2388.22
    cyclohexanone 1428.11
    propylene glycol 15.27
    isopropyl acetate 609.38
    DMAc 534.16
    2-ethoxyethanol 180.58
    isopentanol 163.59
    n-heptane 290.21
    ethyl formate 342.3
    1,2-dichloroethane 2228.58
    n-hexanol 378.78
    2-methoxyethanol 237.99
    isobutyl acetate 508.49
    tetrachloromethane 235.38
    n-pentyl acetate 457.32
    transcutol 1210.37
    n-heptanol 108.6
    ethylbenzene 646.04
    MIBK 455.49
    2-propoxyethanol 469.48
    tert-butanol 154.24
    MTBE 713.23
    2-butoxyethanol 175.64
    propionic acid 120.64
    o-xylene 432.46
    formic acid 7.7
    diethyl ether 1796.67
    m-xylene 535.35
    p-xylene 615.98
    chlorobenzene 764.03
    dimethyl carbonate 289.33
    n-octane 96.38
    formamide 32.96
    cyclopentanone 1485.51
    2-pentanone 959.88
    anisole 958.0
    cyclopentyl methyl ether 1081.88
    gamma-butyrolactone 1123.71
    1-methoxy-2-propanol 174.61
    pyridine 1975.14
    3-pentanone 1001.42
    furfural 620.15
    n-dodecane 45.62
    diethylene glycol 112.01
    diisopropyl ether 398.2
    tert-amyl alcohol 149.86
    acetylacetone 836.36
    n-hexadecane 57.2
    acetophenone 520.64
    methyl propionate 749.3
    isopentyl acetate 1367.47
    trichloroethylene 2715.48
    n-nonanol 115.3
    cyclohexanol 190.5
    benzyl alcohol 229.17
    2-ethylhexanol 366.83
    isooctanol 101.68
    dipropyl ether 1694.33
    1,2-dichlorobenzene 527.31
    ethyl lactate 94.21
    propylene carbonate 562.8
    n-methylformamide 172.26
    2-pentanol 134.88
    n-pentane 136.02
    1-propoxy-2-propanol 380.56
    1-methoxy-2-propyl acetate 895.98
    2-(2-methoxypropoxy) propanol 230.18
    mesitylene 292.82
    ε-caprolactone 974.82
    p-cymene 315.73
    epichlorohydrin 1838.29
    1,1,1-trichloroethane 1205.97
    2-aminoethanol 24.91
    morpholine-4-carbaldehyde 716.52
    sulfolane 679.44
    2,2,4-trimethylpentane 57.62
    2-methyltetrahydrofuran 1772.8
    n-hexyl acetate 554.84
    isooctane 49.96
    2-(2-butoxyethoxy)ethanol 308.86
    sec-butyl acetate 499.32
    tert-butyl acetate 624.86
    decalin 167.3
    glycerin 19.12
    diglyme 998.35
    acrylic acid 84.14
    isopropyl myristate 255.17
    n-butyric acid 254.57
    acetyl acetate 529.75
    di(2-ethylhexyl) phthalate 141.43
    ethyl propionate 689.01
    nitromethane 363.37
    1,2-diethoxyethane 1781.19
    benzonitrile 438.84
    trioctyl phosphate 94.25
    1-bromopropane 1409.27
    gamma-valerolactone 1237.17
    n-decanol 90.75
    triethyl phosphate 256.29
    4-methyl-2-pentanol 87.72
    propionitrile 493.96
    vinylene carbonate 456.64
    1,1,2-trichlorotrifluoroethane 271.87
    DMS 513.75
    cumene 311.94
    2-octanol 84.64
    2-hexanone 791.82
    octyl acetate 270.26
    limonene 486.22
    1,2-dimethoxyethane 1081.32
    ethyl orthosilicate 271.38
    tributyl phosphate 150.47
    diacetone alcohol 267.66
    N,N-dimethylaniline 474.13
    acrylonitrile 480.99
    aniline 429.65
    1,3-propanediol 60.88
    bromobenzene 1104.39
    dibromomethane 1633.98
    1,1,2,2-tetrachloroethane 1518.91
    2-methyl-cyclohexyl acetate 538.9
    tetrabutyl urea 209.88
    diisobutyl methanol 199.6
    2-phenylethanol 368.81
    styrene 838.65
    dioctyl adipate 319.19
    dimethyl sulfate 246.67
    ethyl butyrate 1229.27
    methyl lactate 74.82
    butyl lactate 138.02
    diethyl carbonate 624.13
    propanediol butyl ether 83.83
    triethyl orthoformate 584.9
    p-tert-butyltoluene 284.15
    methyl 4-tert-butylbenzoate 302.47
    morpholine 1725.07
    tert-butylamine 140.77
    n-dodecanol 79.33
    dimethoxymethane 826.44
    ethylene carbonate 427.18
    cyrene 178.88
    2-ethoxyethyl acetate 663.07
    2-ethylhexyl acetate 1247.7
    1,2,4-trichlorobenzene 563.79
    4-methylpyridine 1671.16
    dibutyl ether 840.9
    2,6-dimethyl-4-heptanol 199.6
    DEF 976.19
    dimethyl isosorbide 660.48
    tetrachloroethylene 871.08
    eugenol 222.82
    triacetin 350.57
    span 80 175.23
    1,4-butanediol 20.78
    1,1-dichloroethane 1319.99
    2-methyl-1-pentanol 160.66
    methyl formate 167.22
    2-methyl-1-butanol 153.8
    n-decane 87.82
    butyronitrile 526.02
    3,7-dimethyl-1-octanol 156.38
    1-chlorooctane 298.37
    1-chlorotetradecane 116.59
    n-nonane 96.0
    undecane 60.8
    tert-butylcyclohexane 149.09
    cyclooctane 149.59
    cyclopentanol 159.71
    tetrahydropyran 2311.02
    tert-amyl methyl ether 523.77
    2,5,8-trioxanonane 540.42
    1-hexene 984.05
    2-isopropoxyethanol 168.49
    2,2,2-trifluoroethanol 24.96
    methyl butyrate 806.42

    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