n-AMYL ACETATE

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  • Identifiers

    CAS number
    628-63-7

    Molecular formula
    C7H14O2

    SMILES
    CCCCCOC(=O)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 918.0
    • Carbowax: 1166.67

  • Odor profile

    Fruity 98.12%
    Sweet 85.04%
    Banana 75.24%
    Ethereal 74.51%
    Apple 60.91%
    Pineapple 59.85%
    Pear 57.46%
    Rummy 52.59%
    Ripe 46.94%
    Winey 43.44%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 0.0075 [mmHg]. Odor Threshold High: 7.3 [mmHg]. Detection odor threshold from AIHA (mean = 0.052 ppm)
    • 0.6 to 39 mg/cu m in air; 0.26 to 5 mg/L in water
    • Detection in air: 0.04-31.0 mg/cu m; detection in water: 0.08 ppm
    • Low: 0.0265 mg/cu m; High: 37.1 mg/cu m; Irritating concn: 530 mg/cu m.

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.66 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • less than -148 °F (USCG, 1999)
    • -70.8 °C
    • -71 °C
    • -95 °F

    Boiling point

    • 295 °F at 760 mmHg (USCG, 1999)
    • 149.2 °C
    • 149.00 to 150.00 °C. @ 760.00 mm Hg
    • 149 °C
    • 295 °F
    • 301 °F

    Flash point est.
    42.22 ˚C

    Flash point expt.

    • (n-) 91 °F (cc); (all isomers) 106F (cc); (iso-) 69 °F (cc) (USCG, 1999)
    • 91 °F
    • 77 °F (25 °C) (CLOSED CUP)
    • 60 °F (16 °C) (Closed cup)
    • 25 °C c.c.
    • 91 °F (n-), 106 °F (all isomers), 69 °F (iso-)
    • 77 °F

    Solubility expt.

    • 0.2 % (NIOSH, 2024)
    • Miscible with ethanol, ethyl ether; soluble in carbon tetrachloride
    • In water, 1.73X10+3 mg/L at 25 °C
    • 1.7 mg/mL at 20 °C
    • Solubility in water: poor
    • 0.2%

  • Synonyms

    • Amyl acetate
    • Pentyl acetate
    • 628-63-7
    • n-Amyl acetate
    • N-PENTYL ACETATE
    • Acetic acid, pentyl ester
    • Amyl acetic ester
    • 1-Pentyl acetate
    • Birnenoel
    • n-Pentyl ethanoate
    • Acetic acid, amyl ester
    • Amyl acetic ether
    • Amylazetat
    • Pent-acetate 28
    • 1-Pentanol acetate
    • Octan amylu
    • Pent-acetate
    • Acetate d'amyle
    • Acetic acid pentyl ester
    • Primary amyl acetate
    • Prim-amyl acetate
    • Amylazetat [German]
    • Holiday Pet Repellent
    • pentyl ethanoate
    • Holiday Repellent Dust
    • Octan amylu [Polish]
    • Caswell No. 049A
    • 1-Acetoxypentane
    • n-Amyl acetate, normal
    • Amylester kyseliny octove
    • Acetate d'amyle [French]
    • NSC 7923
    • 1-Pentanol, acetate
    • Amyl acetates
    • Dymon SWH Wasp & Hornet Spray
    • HSDB 5126
    • Acetic acid n-amyl ester
    • Amylester kyseliny octove [Czech]
    • n-Amyl acetate, normal (natural)
    • Pentyl ester of acetic acid
    • EINECS 211-047-3
    • EPA Pesticide Chemical Code 000169
    • BRN 1744753
    • 92Q24NH7AS
    • 828-63-7
    • DTXSID1027263
    • CHEBI:87362
    • AI3-02729
    • NSC-7923
    • MFCD00009500
    • Acetic acid, N-amyl ester
    • AMYL ACETATE [II]
    • Acetic acid, n-pentyl ester
    • AMYL ACETATE [MART.]
    • N-AMYL ACETATE [HSDB]
    • DTXCID107263
    • 4-02-00-00152 (Beilstein Handbook Reference)
    • AMYL ACETATE (II)
    • AMYLAZETAT (GERMAN)
    • OCTAN AMYLU (POLISH)
    • AMYL ACETATE (MART.)
    • ACETATE D'AMYLE (FRENCH)
    • Amylester kyseliny octove (Czech)
    • Amyl acetate, n-
    • CAS-628-63-7
    • PENTYL ACETATE (N) (AMYL ACETATE)
    • PENTYL ACETATE (N) {AMYL ACETATE}
    • UN1104
    • Amyl acetate (commercial)
    • pentacetate
    • pentylethanoate
    • UNII-92Q24NH7AS
    • nPentyl acetate
    • nAmyl acetate
    • Primamyl acetate
    • 1Pentyl acetate
    • nPentyl ethanoate
    • Pentacetate 28
    • 1Pentanol acetate
    • Caswell No 049A
    • nAmyl acetate, normal
    • PENTYL ACETATES
    • Pentyl acetate, 99%
    • Acetic Acid Amyl Ester
    • AMYL ACETATE [INCI]
    • SCHEMBL10663
    • Acetic acid, 1-pentyl ester
    • WLN: 5OV1
    • CHEMBL47769
    • Amyl acetate, >=99%, FG
    • n-Amyl acetate (ACGIH:OSHA)
    • nAmyl acetate, normal (natural)
    • NSC7923
    • AMYL ACETATE, MIXED ISOMERS
    • Pentyl acetate, analytical standard
    • AAA62863
    • Tox21_201628
    • Tox21_300360
    • LMFA07010176
    • MSK000793
    • STL268857
    • AKOS009031544
    • NCGC00248005-01
    • NCGC00248005-02
    • NCGC00254285-01
    • NCGC00259177-01
    • A0021
    • NS00008926
    • Amyl acetates [UN1104] [Flammable liquid]
    • EN300-19874
    • A834045
    • Pentyl acetate, puriss. p.a., >=98.5% (GC)
    • Q416972
    • Z104475894
    • 211-047-3

  • Applications

    Amyl acetate (CAS 628-63-7) is a fruity, banana-scented ester widely employed as a fast-evaporating solvent for nitrocellulose lacquers, wood finishes, printing inks and metal coatings; its high solvency power and moderate evaporation rate promote smooth, glossy drying in spray paints, screen and offset inks; in the flavor industry it serves as a prime banana, apple and pear note for candies, soft drinks and chewing gum; in cosmetics and perfumery the compound imparts fresh fruity nuances and acts as a fragrance modifier; in laboratories it functions as an extraction and recrystallization solvent, a permeability test fluid for packaging, and a calibration standard for chromatographic instruments; additionally, amyl acetate is exploited as a plasticizer for cellulose acetate, a cleaning agent for electronic components, a flavor carrier in pharmaceutical capsules, and an intermediate in synthesizing pesticides and surfactants, delivering versatile economic value across multiple sectors.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4007.54
    methanol 6081.04
    isopropanol 2735.18
    water 6.28
    ethyl acetate 1189.81
    n-propanol 2500.16
    acetone 2797.95
    n-butanol 2030.74
    acetonitrile 1730.73
    DMF 3002.03
    toluene 506.03
    isobutanol 1578.0
    1,4-dioxane 2389.51
    methyl acetate 1127.6
    THF 2831.56
    2-butanone 1524.93
    n-pentanol 1233.94
    sec-butanol 1852.22
    n-hexane 380.6
    ethylene glycol 805.45
    NMP 2095.82
    cyclohexane 354.32
    DMSO 2886.01
    n-butyl acetate 883.37
    n-octanol 419.62
    chloroform 3013.02
    n-propyl acetate 657.21
    acetic acid 3351.68
    dichloromethane 2181.61
    cyclohexanone 2130.04
    propylene glycol 1037.59
    isopropyl acetate 661.8
    DMAc 1870.87
    2-ethoxyethanol 1371.48
    isopentanol 1450.97
    n-heptane 105.42
    ethyl formate 854.82
    1,2-dichloroethane 1347.19
    n-hexanol 1122.99
    2-methoxyethanol 2643.29
    isobutyl acetate 404.22
    tetrachloromethane 516.02
    n-pentyl acetate 486.48
    transcutol 3374.43
    n-heptanol 352.92
    ethylbenzene 294.27
    MIBK 564.88
    2-propoxyethanol 1493.41
    tert-butanol 2501.72
    MTBE 1349.13
    2-butoxyethanol 645.48
    propionic acid 1776.45
    o-xylene 321.01
    formic acid 1218.27
    diethyl ether 1342.89
    m-xylene 335.15
    p-xylene 391.8
    chlorobenzene 794.52
    dimethyl carbonate 241.64
    n-octane 35.72
    formamide 1220.63
    cyclopentanone 1979.78
    2-pentanone 1147.18
    anisole 582.74
    cyclopentyl methyl ether 1252.41
    gamma-butyrolactone 1896.18
    1-methoxy-2-propanol 1680.01
    pyridine 1854.4
    3-pentanone 714.94
    furfural 1611.24
    n-dodecane 26.64
    diethylene glycol 1132.1
    diisopropyl ether 273.47
    tert-amyl alcohol 1746.61
    acetylacetone 1037.35
    n-hexadecane 30.49
    acetophenone 515.31
    methyl propionate 758.45
    isopentyl acetate 725.41
    trichloroethylene 2352.56
    n-nonanol 336.8
    cyclohexanol 1621.32
    benzyl alcohol 634.96
    2-ethylhexanol 542.91
    isooctanol 267.72
    dipropyl ether 486.64
    1,2-dichlorobenzene 609.86
    ethyl lactate 311.52
    propylene carbonate 925.82
    n-methylformamide 1602.28
    2-pentanol 1123.88
    n-pentane 237.0
    1-propoxy-2-propanol 946.1
    1-methoxy-2-propyl acetate 623.05
    2-(2-methoxypropoxy) propanol 629.39
    mesitylene 200.36
    ε-caprolactone 1563.6
    p-cymene 161.44
    epichlorohydrin 1716.29
    1,1,1-trichloroethane 1351.18
    2-aminoethanol 1581.35
    morpholine-4-carbaldehyde 1846.07
    sulfolane 2088.11
    2,2,4-trimethylpentane 90.51
    2-methyltetrahydrofuran 2175.06
    n-hexyl acetate 726.88
    isooctane 57.06
    2-(2-butoxyethoxy)ethanol 909.79
    sec-butyl acetate 442.34
    tert-butyl acetate 691.35
    decalin 133.73
    glycerin 1121.35
    diglyme 1395.55
    acrylic acid 1531.31
    isopropyl myristate 214.03
    n-butyric acid 2097.04
    acetyl acetate 670.5
    di(2-ethylhexyl) phthalate 251.0
    ethyl propionate 526.33
    nitromethane 2807.81
    1,2-diethoxyethane 895.88
    benzonitrile 886.86
    trioctyl phosphate 167.02
    1-bromopropane 1040.31
    gamma-valerolactone 2282.9
    n-decanol 224.65
    triethyl phosphate 203.54
    4-methyl-2-pentanol 479.82
    propionitrile 1247.9
    vinylene carbonate 867.46
    1,1,2-trichlorotrifluoroethane 1663.83
    DMS 444.18
    cumene 185.67
    2-octanol 257.93
    2-hexanone 826.34
    octyl acetate 280.55
    limonene 287.86
    1,2-dimethoxyethane 1949.36
    ethyl orthosilicate 215.56
    tributyl phosphate 237.12
    diacetone alcohol 865.8
    N,N-dimethylaniline 382.04
    acrylonitrile 1452.43
    aniline 968.09
    1,3-propanediol 1785.52
    bromobenzene 771.04
    dibromomethane 1597.12
    1,1,2,2-tetrachloroethane 2125.64
    2-methyl-cyclohexyl acetate 390.97
    tetrabutyl urea 291.73
    diisobutyl methanol 246.98
    2-phenylethanol 557.41
    styrene 424.79
    dioctyl adipate 360.34
    dimethyl sulfate 437.48
    ethyl butyrate 465.75
    methyl lactate 469.62
    butyl lactate 434.92
    diethyl carbonate 286.23
    propanediol butyl ether 800.71
    triethyl orthoformate 320.78
    p-tert-butyltoluene 161.54
    methyl 4-tert-butylbenzoate 402.86
    morpholine 3132.18
    tert-butylamine 1556.74
    n-dodecanol 161.35
    dimethoxymethane 955.34
    ethylene carbonate 737.62
    cyrene 495.82
    2-ethoxyethyl acetate 599.97
    2-ethylhexyl acetate 541.92
    1,2,4-trichlorobenzene 738.68
    4-methylpyridine 1695.37
    dibutyl ether 479.11
    2,6-dimethyl-4-heptanol 246.98
    DEF 1288.06
    dimethyl isosorbide 795.37
    tetrachloroethylene 1551.16
    eugenol 443.9
    triacetin 589.68
    span 80 645.07
    1,4-butanediol 693.05
    1,1-dichloroethane 1610.29
    2-methyl-1-pentanol 960.58
    methyl formate 928.5
    2-methyl-1-butanol 1362.95
    n-decane 50.58
    butyronitrile 1434.36
    3,7-dimethyl-1-octanol 422.98
    1-chlorooctane 226.92
    1-chlorotetradecane 75.87
    n-nonane 53.02
    undecane 34.97
    tert-butylcyclohexane 123.76
    cyclooctane 78.96
    cyclopentanol 1785.85
    tetrahydropyran 2515.1
    tert-amyl methyl ether 897.75
    2,5,8-trioxanonane 938.91
    1-hexene 1013.02
    2-isopropoxyethanol 840.47
    2,2,2-trifluoroethanol 705.04
    methyl butyrate 804.44

    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

Botanical

Name CAS Botanical Proportion
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.17%
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.12%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.01%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.16%