1-Acetoxy-2-methylnaphthalene

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  • Identifiers

    CAS number
    5697-02-9

    Molecular formula
    C13H12O2

    SMILES
    CC1=C(C2=CC=CC=C2C=C1)OC(=O)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 82.21%
    Fruity 62.87%
    Sweet 54.82%
    Phenolic 50.5%
    Neroli 44.06%
    Powdery 43.06%
    Animal 41.4%
    Grape 38.51%
    Honey 34.31%
    Orange 34.03%

     

    Flavor
    Sweet 85.27%
    Floral 59.38%
    Powdery 47.39%
    Woody 46.54%
    Balsam 37.18%
    Herbal 36.65%
    Clove 34.84%
    Hawthorn 34.32%
    Phenolic 33.57%
    Tobacco 33.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.5 (neutral)

    Molecular weight
    200.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 155.14 ˚C est.

  • Synonyms

    • 1-Acetoxy-2-methylnaphthalene
    • 2-Methyl-1-naphthyl Acetate
    • 5697-02-9
    • (2-methylnaphthalen-1-yl) Acetate
    • 1-Naphthalenol, 2-methyl-, acetate
    • 1-Naphthol, 2-methyl-, acetate
    • 6I1S02A5B9
    • 2-METHYL-1-NAPHTHOL ACETATE
    • 1-Naphthalenol, 2-methyl-, 1-acetate
    • 1-Acetoxy-2-methylnaphthalene [INCI]
    • DTXSID30205546
    • RefChem:428954
    • DTXCID60128037
    • 454-690-7
    • 1-Acetoxy-2-met hoxynaphthalene
    • 2-METHYLNAPHTHALEN-1-YL ACETATE
    • MFCD09038535
    • UNII-6I1S02A5B9
    • (2-methyl-1-naphthyl) acetate
    • Acetic Acid 2-Methyl-1-naphthyl Ester
    • SCHEMBL453345
    • 1-acetoxy-2-methyl naphthalene
    • SCHEMBL29356413
    • WVOAPRDRMLHUMI-UHFFFAOYSA-
    • AKOS025402330
    • AC-8156
    • 2-Methyl-1-naphthyl acetate, AldrichCPR
    • SY057475
    • CS-0453671
    • M1757
    • D91528
    • Q27264937
    • InChI=1/C13H12O2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14/h3-8H,1-2H3
    • 5697-02-9

  • Applications

    1-Acetoxy-2-methylnaphthalene (CAS 5697-02-9) is primarily used as an organic synthesis intermediate across several industries, notably in fragrance chemistry where it can serve as a precursor to more complex aromatic compounds and may act as an odorant or fragrance ingredient; in cosmetics/personal care it is typically encountered as a fragrance intermediate; in household products it may be used as a fragrance component; in industrial manufacturing it serves as a building block for specialty aromatic substances; in polymers/plastics and coatings/inks sectors it can function as a reactive intermediate for aroma-related additives or for the synthesis of high-value materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 298.06
    methanol 394.06
    isopropanol 191.7
    water 0.43
    ethyl acetate 748.84
    n-propanol 227.6
    acetone 1125.76
    n-butanol 201.21
    acetonitrile 601.64
    DMF 1869.5
    toluene 354.78
    isobutanol 163.36
    1,4-dioxane 1520.12
    methyl acetate 925.13
    THF 1594.64
    2-butanone 905.48
    n-pentanol 164.98
    sec-butanol 192.93
    n-hexane 53.61
    ethylene glycol 68.38
    NMP 894.53
    cyclohexane 69.86
    DMSO 968.68
    n-butyl acetate 590.77
    n-octanol 171.14
    chloroform 1798.87
    n-propyl acetate 555.35
    acetic acid 227.33
    dichloromethane 2285.75
    cyclohexanone 957.54
    propylene glycol 58.09
    isopropyl acetate 310.83
    DMAc 1036.17
    2-ethoxyethanol 285.58
    isopentanol 153.07
    n-heptane 46.22
    ethyl formate 633.18
    1,2-dichloroethane 1478.91
    n-hexanol 234.88
    2-methoxyethanol 481.99
    isobutyl acetate 300.5
    tetrachloromethane 142.5
    n-pentyl acetate 326.15
    transcutol 463.84
    n-heptanol 138.85
    ethylbenzene 268.44
    MIBK 260.69
    2-propoxyethanol 389.13
    tert-butanol 230.66
    MTBE 313.88
    2-butoxyethanol 231.73
    propionic acid 263.87
    o-xylene 213.73
    formic acid 57.53
    diethyl ether 586.58
    m-xylene 214.21
    p-xylene 314.88
    chlorobenzene 447.17
    dimethyl carbonate 389.97
    n-octane 33.17
    formamide 186.63
    cyclopentanone 1371.73
    2-pentanone 608.81
    anisole 485.81
    cyclopentyl methyl ether 561.92
    gamma-butyrolactone 1443.9
    1-methoxy-2-propanol 279.7
    pyridine 840.44
    3-pentanone 580.38
    furfural 825.97
    n-dodecane 29.58
    diethylene glycol 248.23
    diisopropyl ether 113.22
    tert-amyl alcohol 195.93
    acetylacetone 619.49
    n-hexadecane 33.88
    acetophenone 401.68
    methyl propionate 685.9
    isopentyl acetate 359.77
    trichloroethylene 2085.44
    n-nonanol 146.29
    cyclohexanol 231.88
    benzyl alcohol 257.97
    2-ethylhexanol 163.47
    isooctanol 111.76
    dipropyl ether 311.14
    1,2-dichlorobenzene 377.98
    ethyl lactate 175.01
    propylene carbonate 629.15
    n-methylformamide 731.39
    2-pentanol 136.0
    n-pentane 31.81
    1-propoxy-2-propanol 244.91
    1-methoxy-2-propyl acetate 347.33
    2-(2-methoxypropoxy) propanol 188.48
    mesitylene 119.93
    ε-caprolactone 770.46
    p-cymene 117.46
    epichlorohydrin 1592.11
    1,1,1-trichloroethane 727.82
    2-aminoethanol 104.43
    morpholine-4-carbaldehyde 928.4
    sulfolane 942.29
    2,2,4-trimethylpentane 17.65
    2-methyltetrahydrofuran 887.16
    n-hexyl acetate 411.61
    isooctane 13.7
    2-(2-butoxyethoxy)ethanol 259.1
    sec-butyl acetate 285.85
    tert-butyl acetate 260.6
    decalin 51.89
    glycerin 83.92
    diglyme 578.42
    acrylic acid 222.88
    isopropyl myristate 148.34
    n-butyric acid 312.8
    acetyl acetate 366.86
    di(2-ethylhexyl) phthalate 113.89
    ethyl propionate 477.59
    nitromethane 811.14
    1,2-diethoxyethane 419.74
    benzonitrile 387.54
    trioctyl phosphate 96.09
    1-bromopropane 672.28
    gamma-valerolactone 1244.37
    n-decanol 116.85
    triethyl phosphate 149.38
    4-methyl-2-pentanol 82.47
    propionitrile 472.67
    vinylene carbonate 668.45
    1,1,2-trichlorotrifluoroethane 397.36
    DMS 412.64
    cumene 155.28
    2-octanol 126.64
    2-hexanone 492.15
    octyl acetate 204.08
    limonene 155.67
    1,2-dimethoxyethane 896.29
    ethyl orthosilicate 130.43
    tributyl phosphate 117.24
    diacetone alcohol 242.58
    N,N-dimethylaniline 267.33
    acrylonitrile 605.91
    aniline 290.19
    1,3-propanediol 165.77
    bromobenzene 506.72
    dibromomethane 1337.53
    1,1,2,2-tetrachloroethane 1316.85
    2-methyl-cyclohexyl acetate 223.46
    tetrabutyl urea 165.55
    diisobutyl methanol 90.94
    2-phenylethanol 252.7
    styrene 312.25
    dioctyl adipate 188.93
    dimethyl sulfate 449.73
    ethyl butyrate 392.73
    methyl lactate 173.49
    butyl lactate 170.48
    diethyl carbonate 280.92
    propanediol butyl ether 172.62
    triethyl orthoformate 194.15
    p-tert-butyltoluene 106.16
    methyl 4-tert-butylbenzoate 234.08
    morpholine 1213.47
    tert-butylamine 134.57
    n-dodecanol 93.66
    dimethoxymethane 963.29
    ethylene carbonate 607.14
    cyrene 215.74
    2-ethoxyethyl acetate 393.96
    2-ethylhexyl acetate 313.02
    1,2,4-trichlorobenzene 406.89
    4-methylpyridine 758.86
    dibutyl ether 275.1
    2,6-dimethyl-4-heptanol 90.94
    DEF 736.11
    dimethyl isosorbide 340.6
    tetrachloroethylene 785.2
    eugenol 241.0
    triacetin 292.21
    span 80 157.32
    1,4-butanediol 84.13
    1,1-dichloroethane 1047.18
    2-methyl-1-pentanol 154.45
    methyl formate 757.96
    2-methyl-1-butanol 166.73
    n-decane 46.36
    butyronitrile 428.48
    3,7-dimethyl-1-octanol 126.77
    1-chlorooctane 168.79
    1-chlorotetradecane 71.01
    n-nonane 46.16
    undecane 36.47
    tert-butylcyclohexane 46.41
    cyclooctane 24.4
    cyclopentanol 280.76
    tetrahydropyran 1080.66
    tert-amyl methyl ether 244.44
    2,5,8-trioxanonane 350.1
    1-hexene 223.12
    2-isopropoxyethanol 219.56
    2,2,2-trifluoroethanol 112.03
    methyl butyrate 670.13

    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