1-Naphthaldehyde

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  • Identifiers

    CAS number
    66-77-3

    Molecular formula
    C11H8O

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 80.84%
    Almond 68.86%
    Cherry 66.82%
    Bitter 64.29%
    Floral 53.27%
    Fruity 51.25%
    Powdery 51.18%
    Balsamic 45.31%
    Coumarinic 43.64%
    Phenolic 42.25%

     

    Flavor
    Bitter 55.58%
    Cherry 50.52%
    Sweet 50.42%
    Almond 43.9%
    Balsam 41.28%
    Phenolic 36.0%
    Medical 30.35%
    Honey 30.16%
    Cinnamon 29.64%
    Chemical 27.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.47 (neutral)

    Molecular weight
    156.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 140.34 ˚C est.

  • Synonyms

    • 1-Naphthaldehyde
    • 66-77-3
    • naphthalene-1-carbaldehyde
    • 1-Formylnaphthalene
    • alpha-Naphthaldehyde
    • 1-Naphthylaldehyde
    • alpha-Naphthal
    • 1-NAPHTHALENECARBOXALDEHYDE
    • alpha-Naphthylcarboxaldehyde
    • alpha-Naphthylaldehyde
    • H3I0B5F8SX
    • DTXSID5058775
    • CHEBI:52367
    • NSC-6106
    • RefChem:434723
    • DTXCID2044686
    • 200-633-4
    • Naphthaldehyde
    • naphthalene-1-aldehyde
    • 1-naphtaldehyde
    • .alpha.-Naphthaldehyde
    • .alpha.-Naphthylaldehyde
    • MFCD00004003
    • .alpha.-Naphthal
    • .alpha.-Naphthylcarboxaldehyde
    • 1-naphthylcarboxaldehyde
    • I-Napthaldehyde
    • 1-Napthaldehyde
    • NSC 6106
    • NAPHTHALENECARBOXALDEHYDE
    • alphaalpha-naphthaldehyde
    • Naphthalene-1-carboxaldehyde
    • CHEMBL3265260
    • naphthalenecarbaldehyde
    • 30678-61-6
    • 1-Formylnaphthalene; 1-Naphthylaldehyde; 1-Naphthylcarboxaldehyde
    • 1-naphthalenecarbaldehyde
    • EINECS 200-633-4
    • BRN 0386082
    • naphthal
    • Naphthaldehdye
    • 1naphthaldehyde
    • formylnaphthalene
    • 4-Naphthalene-1-carboxaldehyde
    • a-Naphthal
    • A-Naphthaldehyde
    • 1-naphtoaldehyde
    • 1-napthylaldehyde
    • 1-Naphthoaldehyde
    • 1- Naphthaldehyde
    • 1-naphthyl aldehyde
    • alpha-naphthoaldehyde
    • naphthaleneformaldehyde
    • naphthalene-formaldehyde
    • 1-naphthalencarboxaldehyde
    • Naphtalene-1-carbaldehyde
    • 1-Naphthaldehyde, 95%
    • naphthalene-1 carbaldehyde
    • naphthaline-1-carbaldehyde
    • bmse000532
    • UNII-H3I0B5F8SX
    • SCHEMBL9004
    • SCHEMBL9005
    • BIDD:GT0176
    • SCHEMBL342713
    • .ALPHA.-NAPHTHOALDEHYDE
    • SCHEMBL2648998
    • SCHEMBL5748892
    • SCHEMBL5749248
    • SCHEMBL5749475
    • SCHEMBL5749636
    • SCHEMBL5750064
    • SCHEMBL7408803
    • NSC6106
    • BB_SC-07239
    • CS-D1451
    • BDBM50013801
    • MSK001421
    • SBB040200
    • STK498756
    • AKOS000118888
    • AC-5796
    • EBC-432044
    • FN02194
    • MSK001421-100T
    • .ALPHA.-NAPHTHALENECARBOXALDEHYDE
    • MSK001421-1000T
    • NCGC00341016-01
    • AS-19333
    • PD139181
    • DB-038174
    • N0002
    • NS00020333
    • ST50213341
    • EN300-19124
    • D70897
    • 1-Naphthaldehyde Solution in Toluene, 100ug/mL
    • AB01331896-02
    • 1-Naphthaldehyde Solution in Toluene, 1000ug/mL
    • F065345
    • Q21050985
    • F2190-0608
    • Z104472874
    • InChI=1/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8
    • 66-77-3

  • Applications

    1-Naphthaldehyde (CAS 66-77-3) is a versatile aromatic aldehyde primarily used as an intermediate in organic synthesis: it serves as a precursor for dyes and pigments in industrial manufacturing; it is a building block for fragrance components in perfumery; it functions as a synthetic intermediate in pharmaceutical and agrochemical development; it is employed in polymer and coating chemistry as a starting material for specialty monomers; and it is used to prepare cosmetic and personal care ingredients. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 352.06
    methanol 325.78
    isopropanol 195.17
    water 1.81
    ethyl acetate 1607.46
    n-propanol 273.71
    acetone 2785.55
    n-butanol 219.46
    acetonitrile 1759.34
    DMF 2416.97
    toluene 647.22
    isobutanol 166.08
    1,4-dioxane 3951.37
    methyl acetate 1625.44
    THF 3479.6
    2-butanone 1614.91
    n-pentanol 161.9
    sec-butanol 150.25
    n-hexane 57.2
    ethylene glycol 79.63
    NMP 1525.72
    cyclohexane 98.7
    DMSO 2418.32
    n-butyl acetate 762.61
    n-octanol 120.27
    chloroform 2676.69
    n-propyl acetate 840.77
    acetic acid 506.45
    dichloromethane 4828.06
    cyclohexanone 1939.96
    propylene glycol 43.63
    isopropyl acetate 655.59
    DMAc 921.82
    2-ethoxyethanol 404.08
    isopentanol 177.86
    n-heptane 60.64
    ethyl formate 901.6
    1,2-dichloroethane 4568.62
    n-hexanol 220.1
    2-methoxyethanol 795.28
    isobutyl acetate 384.67
    tetrachloromethane 328.97
    n-pentyl acetate 369.27
    transcutol 1534.6
    n-heptanol 113.8
    ethylbenzene 291.54
    MIBK 470.98
    2-propoxyethanol 540.47
    tert-butanol 196.22
    MTBE 366.7
    2-butoxyethanol 287.44
    propionic acid 412.33
    o-xylene 253.19
    formic acid 141.8
    diethyl ether 1116.7
    m-xylene 304.38
    p-xylene 304.05
    chlorobenzene 901.1
    dimethyl carbonate 683.39
    n-octane 33.93
    formamide 636.52
    cyclopentanone 3155.01
    2-pentanone 1264.16
    anisole 700.69
    cyclopentyl methyl ether 1207.14
    gamma-butyrolactone 3575.78
    1-methoxy-2-propanol 413.35
    pyridine 2843.41
    3-pentanone 1012.92
    furfural 1801.12
    n-dodecane 21.68
    diethylene glycol 343.94
    diisopropyl ether 204.51
    tert-amyl alcohol 133.32
    acetylacetone 1492.87
    n-hexadecane 26.44
    acetophenone 533.83
    methyl propionate 1228.35
    isopentyl acetate 464.67
    trichloroethylene 5426.58
    n-nonanol 108.31
    cyclohexanol 250.9
    benzyl alcohol 299.42
    2-ethylhexanol 146.9
    isooctanol 98.07
    dipropyl ether 408.47
    1,2-dichlorobenzene 684.0
    ethyl lactate 164.49
    propylene carbonate 1114.5
    n-methylformamide 1357.49
    2-pentanol 140.51
    n-pentane 42.03
    1-propoxy-2-propanol 304.05
    1-methoxy-2-propyl acetate 556.75
    2-(2-methoxypropoxy) propanol 214.21
    mesitylene 177.46
    ε-caprolactone 1518.37
    p-cymene 114.16
    epichlorohydrin 5355.07
    1,1,1-trichloroethane 1728.93
    2-aminoethanol 133.21
    morpholine-4-carbaldehyde 1722.78
    sulfolane 2411.08
    2,2,4-trimethylpentane 17.42
    2-methyltetrahydrofuran 1993.21
    n-hexyl acetate 467.97
    isooctane 20.29
    2-(2-butoxyethoxy)ethanol 345.82
    sec-butyl acetate 414.93
    tert-butyl acetate 506.02
    decalin 52.59
    glycerin 96.75
    diglyme 1104.61
    acrylic acid 413.66
    isopropyl myristate 155.19
    n-butyric acid 536.66
    acetyl acetate 760.99
    di(2-ethylhexyl) phthalate 95.72
    ethyl propionate 704.0
    nitromethane 2835.43
    1,2-diethoxyethane 849.16
    benzonitrile 628.83
    trioctyl phosphate 79.06
    1-bromopropane 1155.29
    gamma-valerolactone 2961.27
    n-decanol 81.62
    triethyl phosphate 169.18
    4-methyl-2-pentanol 87.02
    propionitrile 919.3
    vinylene carbonate 1080.2
    1,1,2-trichlorotrifluoroethane 876.0
    DMS 624.08
    cumene 138.01
    2-octanol 82.75
    2-hexanone 706.84
    octyl acetate 187.79
    limonene 162.27
    1,2-dimethoxyethane 1402.87
    ethyl orthosilicate 147.86
    tributyl phosphate 107.65
    diacetone alcohol 389.94
    N,N-dimethylaniline 279.97
    acrylonitrile 1446.06
    aniline 502.61
    1,3-propanediol 249.5
    bromobenzene 1025.17
    dibromomethane 2313.23
    1,1,2,2-tetrachloroethane 2747.22
    2-methyl-cyclohexyl acetate 256.13
    tetrabutyl urea 151.54
    diisobutyl methanol 96.0
    2-phenylethanol 297.72
    styrene 418.73
    dioctyl adipate 208.77
    dimethyl sulfate 831.06
    ethyl butyrate 510.2
    methyl lactate 224.76
    butyl lactate 169.71
    diethyl carbonate 305.95
    propanediol butyl ether 160.65
    triethyl orthoformate 240.48
    p-tert-butyltoluene 106.28
    methyl 4-tert-butylbenzoate 280.45
    morpholine 2916.91
    tert-butylamine 115.14
    n-dodecanol 64.81
    dimethoxymethane 1749.59
    ethylene carbonate 938.16
    cyrene 234.76
    2-ethoxyethyl acetate 642.68
    2-ethylhexyl acetate 386.7
    1,2,4-trichlorobenzene 705.93
    4-methylpyridine 1804.33
    dibutyl ether 303.55
    2,6-dimethyl-4-heptanol 96.0
    DEF 1296.22
    dimethyl isosorbide 556.03
    tetrachloroethylene 1775.36
    eugenol 255.18
    triacetin 385.15
    span 80 159.35
    1,4-butanediol 86.76
    1,1-dichloroethane 2186.17
    2-methyl-1-pentanol 131.69
    methyl formate 1307.53
    2-methyl-1-butanol 151.24
    n-decane 37.41
    butyronitrile 713.33
    3,7-dimethyl-1-octanol 107.14
    1-chlorooctane 166.15
    1-chlorotetradecane 60.47
    n-nonane 39.77
    undecane 27.95
    tert-butylcyclohexane 41.26
    cyclooctane 41.2
    cyclopentanol 398.86
    tetrahydropyran 2343.67
    tert-amyl methyl ether 249.98
    2,5,8-trioxanonane 519.47
    1-hexene 201.58
    2-isopropoxyethanol 259.09
    2,2,2-trifluoroethanol 261.58
    methyl butyrate 945.01

    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