2-Naphthyl salicylate

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  • Identifiers

    CAS number
    613-78-5

    Molecular formula
    C17H12O3

    SMILES
    C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3O

    Safety labels

  • Odor profile

    Fragrance
    Floral 75.26%
    Balsamic 62.62%
    Sweet 61.78%
    Fruity 56.41%
    Phenolic 49.75%
    Honey 40.02%
    Rose 38.66%
    Herbal 36.73%
    Powdery 33.83%
    Aromatic 33.52%

     

    Flavor
    Bitter 62.54%
    Balsam 38.56%
    Herbal 28.93%
    Phenolic 28.2%
    Sweet 27.57%
    Wintergreen 26.49%
    Honey 25.85%
    Balsamic 23.38%
    Odorless 23.05%
    Mild 22.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.94 (weak base)

    Molecular weight
    264.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 200.83 ˚C est.

  • Synonyms

    • Betol
    • 2-Naphthyl salicylate
    • beta-Naphthyl salicylate
    • .beta.-Naphthyl salicylate
    • NSC-5538
    • 2-Hydroxybenzoic acid 2-naphthalenyl ester
    • 9X065171H7
    • UNII-9X065171H7
    • 2-NAPHTHYL SALICYLATE [MI]
    • EINECS 210-355-5
    • AI3-00890
    • RefChem:88651
    • ZBJVLWIYKOAYQH-UHFFFAOYSA-N
    • naphthalen-2-yl 2-hydroxybenzoate
    • 613-78-5
    • Naphthosalol
    • Salinaphthol
    • Berol
    • Naphthalol
    • .beta.-Naphthol salicylate
    • Salicylic acid, 2-naphthyl ester
    • 2-naphthyl 2-hydroxybenzoate
    • Benzoic acid, 2-hydroxy-, 2-naphthalenyl ester
    • NSC 5538
    • MFCD00227474
    • starbld0015757
    • Salicylsaure-ss-naphthylester
    • Oprea1_275977
    • SCHEMBL853972
    • SCHEMBL29350856
    • SCHEMBL29882684
    • DTXSID40871791
    • NSC5538
    • HMS1607I02
    • Benzoic acid, 2-naphthalenyl ester
    • ALBB-036491
    • BBL000006
    • STK368285
    • AKOS001483246
    • CCG-103166
    • ST011994
    • VS-00404
    • 2-Hydroxybenzoic acid, 2-Naphthalenyl ester
    • CS-0322818
    • EU-0066730
    • NS00041686
    • H49278
    • SR-01000389328
    • SR-01000389328-1
    • Q27273323
    • 613-78-5

  • Applications

    2-Naphthyl salicylate (CAS 613-78-5) is primarily used as a fragrance ingredient and fixative in the perfumery industry to extend and stabilize fragrance notes. It is also employed in cosmetics and personal care products as an odorant component, and in household products such as air fresheners and cleaners as a fragrance additive. In industrial manufacturing it serves as an intermediate in the synthesis of other fragrance-related compounds and specialty chemicals. It may also be used in coatings or inks formulations to provide scent release and aroma performance, and is typically evaluated in fragrance chemistry R&D, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.76
    methanol 22.35
    isopropanol 11.92
    water 0.01
    ethyl acetate 57.77
    n-propanol 20.17
    acetone 81.44
    n-butanol 17.16
    acetonitrile 31.5
    DMF 129.0
    toluene 31.03
    isobutanol 11.14
    1,4-dioxane 178.37
    methyl acetate 83.32
    THF 522.73
    2-butanone 115.3
    n-pentanol 15.36
    sec-butanol 16.81
    n-hexane 0.31
    ethylene glycol 3.24
    NMP 87.14
    cyclohexane 0.51
    DMSO 267.65
    n-butyl acetate 55.61
    n-octanol 5.91
    chloroform 53.08
    n-propyl acetate 46.08
    acetic acid 28.27
    dichloromethane 67.77
    cyclohexanone 112.26
    propylene glycol 8.56
    isopropyl acetate 45.5
    DMAc 195.59
    2-ethoxyethanol 43.48
    isopentanol 16.54
    n-heptane 0.63
    ethyl formate 24.98
    1,2-dichloroethane 116.07
    n-hexanol 15.03
    2-methoxyethanol 95.97
    isobutyl acetate 27.94
    tetrachloromethane 1.76
    n-pentyl acetate 23.28
    transcutol 380.53
    n-heptanol 7.62
    ethylbenzene 13.65
    MIBK 43.89
    2-propoxyethanol 61.88
    tert-butanol 20.86
    MTBE 33.27
    2-butoxyethanol 29.04
    propionic acid 22.91
    o-xylene 11.56
    formic acid 7.99
    diethyl ether 42.28
    m-xylene 11.96
    p-xylene 15.01
    chlorobenzene 28.32
    dimethyl carbonate 38.77
    n-octane 0.37
    formamide 38.86
    cyclopentanone 193.83
    2-pentanone 64.93
    anisole 56.59
    cyclopentyl methyl ether 66.4
    gamma-butyrolactone 191.04
    1-methoxy-2-propanol 72.08
    pyridine 143.6
    3-pentanone 47.62
    furfural 121.49
    n-dodecane 0.72
    diethylene glycol 39.5
    diisopropyl ether 10.04
    tert-amyl alcohol 21.58
    acetylacetone 118.41
    n-hexadecane 0.88
    acetophenone 48.15
    methyl propionate 57.01
    isopentyl acetate 51.99
    trichloroethylene 194.1
    n-nonanol 7.54
    cyclohexanol 16.37
    benzyl alcohol 29.96
    2-ethylhexanol 12.77
    isooctanol 8.02
    dipropyl ether 28.74
    1,2-dichlorobenzene 25.37
    ethyl lactate 23.08
    propylene carbonate 71.15
    n-methylformamide 47.76
    2-pentanol 11.1
    n-pentane 0.22
    1-propoxy-2-propanol 44.1
    1-methoxy-2-propyl acetate 84.9
    2-(2-methoxypropoxy) propanol 59.56
    mesitylene 6.48
    ε-caprolactone 98.24
    p-cymene 8.61
    epichlorohydrin 345.27
    1,1,1-trichloroethane 33.91
    2-aminoethanol 11.17
    morpholine-4-carbaldehyde 121.29
    sulfolane 218.64
    2,2,4-trimethylpentane 0.75
    2-methyltetrahydrofuran 146.18
    n-hexyl acetate 27.21
    isooctane 0.61
    2-(2-butoxyethoxy)ethanol 79.16
    sec-butyl acetate 37.99
    tert-butyl acetate 61.65
    decalin 1.33
    glycerin 16.81
    diglyme 192.78
    acrylic acid 23.65
    isopropyl myristate 17.52
    n-butyric acid 33.58
    acetyl acetate 46.31
    di(2-ethylhexyl) phthalate 15.05
    ethyl propionate 44.4
    nitromethane 127.9
    1,2-diethoxyethane 107.89
    benzonitrile 33.79
    trioctyl phosphate 9.96
    1-bromopropane 27.13
    gamma-valerolactone 207.85
    n-decanol 6.48
    triethyl phosphate 25.67
    4-methyl-2-pentanol 9.85
    propionitrile 30.06
    vinylene carbonate 60.19
    1,1,2-trichlorotrifluoroethane 85.55
    DMS 53.75
    cumene 8.18
    2-octanol 4.85
    2-hexanone 51.11
    octyl acetate 17.81
    limonene 11.36
    1,2-dimethoxyethane 137.26
    ethyl orthosilicate 23.47
    tributyl phosphate 15.31
    diacetone alcohol 70.98
    N,N-dimethylaniline 26.67
    acrylonitrile 47.98
    aniline 32.41
    1,3-propanediol 24.06
    bromobenzene 29.6
    dibromomethane 32.73
    1,1,2,2-tetrachloroethane 136.07
    2-methyl-cyclohexyl acetate 35.36
    tetrabutyl urea 22.12
    diisobutyl methanol 11.76
    2-phenylethanol 31.23
    styrene 17.84
    dioctyl adipate 30.79
    dimethyl sulfate 69.44
    ethyl butyrate 45.75
    methyl lactate 30.68
    butyl lactate 22.41
    diethyl carbonate 33.41
    propanediol butyl ether 24.24
    triethyl orthoformate 35.47
    p-tert-butyltoluene 8.48
    methyl 4-tert-butylbenzoate 39.1
    morpholine 189.08
    tert-butylamine 8.87
    n-dodecanol 5.64
    dimethoxymethane 138.97
    ethylene carbonate 43.91
    cyrene 41.92
    2-ethoxyethyl acetate 57.64
    2-ethylhexyl acetate 38.19
    1,2,4-trichlorobenzene 37.57
    4-methylpyridine 86.94
    dibutyl ether 24.43
    2,6-dimethyl-4-heptanol 11.76
    DEF 68.35
    dimethyl isosorbide 123.83
    tetrachloroethylene 50.03
    eugenol 38.36
    triacetin 47.22
    span 80 33.52
    1,4-butanediol 5.86
    1,1-dichloroethane 35.41
    2-methyl-1-pentanol 18.64
    methyl formate 35.31
    2-methyl-1-butanol 16.54
    n-decane 0.95
    butyronitrile 25.32
    3,7-dimethyl-1-octanol 11.09
    1-chlorooctane 5.44
    1-chlorotetradecane 3.31
    n-nonane 0.68
    undecane 0.82
    tert-butylcyclohexane 1.38
    cyclooctane 0.23
    cyclopentanol 20.89
    tetrahydropyran 115.7
    tert-amyl methyl ether 31.19
    2,5,8-trioxanonane 136.32
    1-hexene 4.22
    2-isopropoxyethanol 30.96
    2,2,2-trifluoroethanol 9.03
    methyl butyrate 53.55

    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