alpha-Naphthyl butyrate

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  • Identifiers

    CAS number
    3121-70-8

    Molecular formula
    C14H14O2

    SMILES
    CCCC(=O)OC1=CC=CC2=CC=CC=C21

    Safety labels

  • Odor profile

    Fragrance
    Floral 78.58%
    Fruity 66.85%
    Honey 54.9%
    Animal 52.54%
    Sweet 48.39%
    Phenolic 46.9%
    Balsamic 37.4%
    Powdery 36.85%
    Aromatic 34.18%
    Grape 32.94%

     

    Flavor
    Sweet 73.98%
    Floral 58.53%
    Balsam 56.77%
    Honey 44.83%
    Herbal 37.99%
    Powdery 35.07%
    Balsamic 34.48%
    Rose 33.68%
    Fruity 33.34%
    Wintergreen 32.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.0 (neutral)

    Molecular weight
    214.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point

    • 156.93 ˚C est.

  • Synonyms

    • 1-Naphthyl butyrate
    • 3121-70-8
    • alpha-Naphthyl butyrate
    • Butyric acid, 1-naphthyl ester
    • alpha-Naphthyl-n-butyrate
    • Butanoic acid, 1-naphthalenyl ester
    • 9UZL9U0CIK
    • NSC-97269
    • DTXSID9062851
    • RefChem:111355
    • DTXCID7038313
    • 221-500-7
    • Naphthalen-1-yl butyrate
    • naphthalen-1-yl butanoate
    • .alpha.-Naphthyl butyrate
    • MFCD00003923
    • .alpha.-Naphthyl-n-butyrate
    • Butyric acid 1-naphthyl ester
    • 1-naphthyl butanoate
    • UNII-9UZL9U0CIK
    • Butanoic acid 1-naphthyl ester
    • naphthyl butyrate
    • naphthyl butanoate
    • EINECS 221-500-7
    • NSC 97269
    • Naphthalen-1-ylbutyrate
    • AI3-18358
    • Butyric acid-1-naphthyl ester
    • SCHEMBL447135
    • orb2941041
    • SCHEMBL29373398
    • NSC97269
    • AKOS024348853
    • n-Butyric acid .alpha.-naphthyl ester
    • FN69862
    • 1-Naphthyl butyrate, esterase substrate
    • AS-58219
    • SY049284
    • HY-131298
    • CS-0132727
    • NS00029037
    • ST50825639
    • D88751
    • AO-548/13304028
    • Q27273258
    • 3121-70-8

  • Applications

    alpha-Naphthyl butyrate (CAS 3121-70-8) is an aromatic ester commonly used as a fragrance ingredient in perfumery, where it acts as an odorant and can contribute to the scent profile of cosmetics and personal care products. It may also be employed in household cleaning products to impart a pleasant aroma. In industrial manufacturing, it is often evaluated as an intermediate for the synthesis of additional aroma compounds and related organic derivatives, and it may serve as a specialty additive or processing aid in coatings, inks, and polymer formulations under applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1014.0
    methanol 1321.02
    isopropanol 553.99
    water 0.26
    ethyl acetate 1681.23
    n-propanol 756.07
    acetone 3164.48
    n-butanol 765.39
    acetonitrile 1894.43
    DMF 5537.4
    toluene 820.08
    isobutanol 583.98
    1,4-dioxane 2670.81
    methyl acetate 1552.32
    THF 2603.41
    2-butanone 1864.12
    n-pentanol 485.56
    sec-butanol 526.82
    n-hexane 102.54
    ethylene glycol 97.91
    NMP 2510.65
    cyclohexane 190.63
    DMSO 2617.72
    n-butyl acetate 1279.15
    n-octanol 224.35
    chloroform 4149.78
    n-propyl acetate 1071.34
    acetic acid 1167.13
    dichloromethane 5100.44
    cyclohexanone 2776.91
    propylene glycol 117.46
    isopropyl acetate 786.4
    DMAc 2325.58
    2-ethoxyethanol 666.47
    isopentanol 612.87
    n-heptane 46.1
    ethyl formate 1034.05
    1,2-dichloroethane 4388.7
    n-hexanol 497.19
    2-methoxyethanol 1347.94
    isobutyl acetate 586.19
    tetrachloromethane 215.2
    n-pentyl acetate 579.21
    transcutol 2619.82
    n-heptanol 190.93
    ethylbenzene 396.63
    MIBK 666.7
    2-propoxyethanol 853.19
    tert-butanol 532.61
    MTBE 706.71
    2-butoxyethanol 411.1
    propionic acid 714.51
    o-xylene 310.94
    formic acid 250.88
    diethyl ether 1555.01
    m-xylene 350.47
    p-xylene 474.69
    chlorobenzene 1416.05
    dimethyl carbonate 735.03
    n-octane 27.64
    formamide 720.82
    cyclopentanone 2813.82
    2-pentanone 1586.8
    anisole 941.86
    cyclopentyl methyl ether 1194.62
    gamma-butyrolactone 2898.08
    1-methoxy-2-propanol 761.13
    pyridine 2922.3
    3-pentanone 1107.09
    furfural 2112.71
    n-dodecane 26.4
    diethylene glycol 481.74
    diisopropyl ether 255.61
    tert-amyl alcohol 433.61
    acetylacetone 1540.85
    n-hexadecane 31.56
    acetophenone 788.3
    methyl propionate 1344.74
    isopentyl acetate 893.76
    trichloroethylene 6230.16
    n-nonanol 202.29
    cyclohexanol 685.46
    benzyl alcohol 580.52
    2-ethylhexanol 291.02
    isooctanol 161.14
    dipropyl ether 471.39
    1,2-dichlorobenzene 1080.67
    ethyl lactate 272.52
    propylene carbonate 1343.63
    n-methylformamide 1742.06
    2-pentanol 393.77
    n-pentane 64.8
    1-propoxy-2-propanol 492.0
    1-methoxy-2-propyl acetate 737.57
    2-(2-methoxypropoxy) propanol 385.24
    mesitylene 186.47
    ε-caprolactone 1832.95
    p-cymene 147.48
    epichlorohydrin 3523.16
    1,1,1-trichloroethane 1785.95
    2-aminoethanol 263.8
    morpholine-4-carbaldehyde 2181.36
    sulfolane 2349.33
    2,2,4-trimethylpentane 31.31
    2-methyltetrahydrofuran 1719.63
    n-hexyl acetate 790.54
    isooctane 24.74
    2-(2-butoxyethoxy)ethanol 606.86
    sec-butyl acetate 559.29
    tert-butyl acetate 635.64
    decalin 82.63
    glycerin 173.48
    diglyme 1480.07
    acrylic acid 703.03
    isopropyl myristate 244.18
    n-butyric acid 1102.4
    acetyl acetate 860.64
    di(2-ethylhexyl) phthalate 190.49
    ethyl propionate 827.79
    nitromethane 3045.59
    1,2-diethoxyethane 1093.23
    benzonitrile 1040.74
    trioctyl phosphate 138.37
    1-bromopropane 1605.67
    gamma-valerolactone 3036.26
    n-decanol 149.17
    triethyl phosphate 246.96
    4-methyl-2-pentanol 202.48
    propionitrile 1193.38
    vinylene carbonate 1438.98
    1,1,2-trichlorotrifluoroethane 1240.15
    DMS 796.23
    cumene 203.46
    2-octanol 153.18
    2-hexanone 1001.06
    octyl acetate 335.42
    limonene 232.15
    1,2-dimethoxyethane 1810.42
    ethyl orthosilicate 217.61
    tributyl phosphate 218.84
    diacetone alcohol 571.54
    N,N-dimethylaniline 444.5
    acrylonitrile 1580.55
    aniline 933.7
    1,3-propanediol 508.79
    bromobenzene 1601.35
    dibromomethane 2948.9
    1,1,2,2-tetrachloroethane 4186.87
    2-methyl-cyclohexyl acetate 396.44
    tetrabutyl urea 287.89
    diisobutyl methanol 146.77
    2-phenylethanol 492.36
    styrene 680.52
    dioctyl adipate 343.8
    dimethyl sulfate 810.73
    ethyl butyrate 681.08
    methyl lactate 354.5
    butyl lactate 331.31
    diethyl carbonate 482.38
    propanediol butyl ether 340.61
    triethyl orthoformate 360.15
    p-tert-butyltoluene 136.3
    methyl 4-tert-butylbenzoate 378.46
    morpholine 2797.31
    tert-butylamine 328.47
    n-dodecanol 115.54
    dimethoxymethane 2041.06
    ethylene carbonate 1222.53
    cyrene 356.28
    2-ethoxyethyl acetate 821.81
    2-ethylhexyl acetate 677.35
    1,2,4-trichlorobenzene 1143.21
    4-methylpyridine 2600.64
    dibutyl ether 535.87
    2,6-dimethyl-4-heptanol 146.77
    DEF 2095.47
    dimethyl isosorbide 671.92
    tetrachloroethylene 2270.59
    eugenol 400.84
    triacetin 557.13
    span 80 309.23
    1,4-butanediol 166.74
    1,1-dichloroethane 2658.07
    2-methyl-1-pentanol 459.57
    methyl formate 1291.75
    2-methyl-1-butanol 589.52
    n-decane 41.71
    butyronitrile 1290.9
    3,7-dimethyl-1-octanol 213.22
    1-chlorooctane 238.24
    1-chlorotetradecane 89.86
    n-nonane 39.23
    undecane 32.29
    tert-butylcyclohexane 62.36
    cyclooctane 41.07
    cyclopentanol 619.76
    tetrahydropyran 2555.59
    tert-amyl methyl ether 483.37
    2,5,8-trioxanonane 791.13
    1-hexene 537.39
    2-isopropoxyethanol 433.01
    2,2,2-trifluoroethanol 314.36
    methyl butyrate 1253.33

    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