2-Pentyl acetate

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  • Identifiers

    CAS number
    626-38-0

    Molecular formula
    C7H14O2

    SMILES
    CCCC(C)OC(=O)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 97.65%
    Banana 73.2%
    Sweet 71.15%
    Ethereal 59.78%
    Green 59.16%
    Apple 58.38%
    Pear 52.64%
    Pineapple 49.54%
    Ripe 45.48%
    Winey 40.31%

     

    Flavor
    Fruity 57.38%
    Herbal 57.33%
    Sweet 47.16%
    Banana 46.72%
    Ethereal 46.13%
    Tropical 40.79%
    Fruit 36.17%
    Bitter 33.99%
    Solvent 30.94%
    Green 30.73%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.002 [mmHg]. Odor Threshold High: 0.08 [mmHg]. Odor threshold from CHEMINFO
    • 2 ppb in air
    • 0.08 ppm

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.48 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -95.44 °F (USCG, 1999)
    • -78.5 °C
    • -148 °C
    • -95.44 °F
    • -109 °F

    Boiling point

    • 271.4 °F at 760 mmHg (USCG, 1999)
    • 130-131 °C
    • 121 °C
    • 271 °F
    • 249 °F

    Flash point

    • 37.47 ˚C est.
    • 89 °F (USCG, 1999)
    • 32 °C
    • 32 °C (89 °F) closed cup
    • 32 °C c.c.
    • 89 °F

    Solubility expt.

    • Slight (NIOSH, 2024)
    • 0.2 g/100 g water at 20 °C
    • Sol in alcohol, ether
    • In water, 1700 ppm at 25 °C
    • Solubility in water: poor
    • insoluble in water; partially soluble in heptane and triacetin
    • partially soluble (in ethanol)
    • Slight

  • Synonyms

    • 1-Methylbutyl acetate
    • pentan-2-yl acetate
    • 2-PENTYL ACETATE
    • 626-38-0
    • sec-Amyl acetate
    • 2-Pentanol, acetate
    • 2-Acetoxypentane
    • 53496-15-4
    • 2-Pentanol, 2-acetate
    • 2-pentanol acetate
    • Acetic acid, 2-pentyl ester
    • sec-Pentyl acetate
    • Acetic acid-2-pentyl ester
    • Pentyl acetate, all isomers
    • Acetic acid, sec-pentyl ester
    • HSDB 6291
    • 2-Amylester kyseliny octove
    • EINECS 210-946-8
    • sek.Amylester kyseliny octove
    • sek.Amylester kyseliny octove [Czech]
    • BRN 1721249
    • SEC-AMYL ETHANOATE
    • B570113U4Q
    • PENT-2-YL ETHANOATE
    • FEMA NO. 4012
    • 2-PENTYL ACETATE [FHFI]
    • 2-PENTYL ACETATE [HSDB]
    • 2-Pentyl Acetate (>90% purity)
    • 4-02-00-00155 (Beilstein Handbook Reference)
    • sek.Amylester kyseliny octove (Czech)
    • 2-Amylester kyseliny octove [Czech]
    • 2Acetoxypentane
    • secAmyl acetate
    • 2-Pentyl ester of acetic acid
    • 2Pentyl acetate
    • UNII-B570113U4Q
    • (+/-)-2-PENTYL ACETATE
    • 2-Pentanyl acetate
    • 2Pentanol, acetate
    • 1Methylbutyl acetate
    • 2-PENTYLACETATE
    • 2Amylester kyseliny octove
    • 2-Pentyl acetate, 99%
    • SCHEMBL97889
    • (+/-)-2-Pentanol acetate
    • DTXSID8052306
    • GQKZRWSUJHVIPE-UHFFFAOYSA-
    • sec-Amyl acetate (ACGIH:OSHA)
    • CHEBI:179996
    • DTXSID601015175
    • 2-Pentanol, acetate (8CI,9CI)
    • MFCD00027906
    • AKOS037643905
    • UN 1104
    • AS-40089
    • DB-054229
    • DB-314247
    • NS00019913
    • Q2180922
    • InChI=1/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3
    • 210-946-8
    • 633-402-5

  • Applications

    1-Methylbutyl acetate (CAS 626-38-0) is a fruity-smelling ester widely employed as a medium-evaporation solvent in nitrocellulose, alkyd, acrylic and polyurethane lacquers where it enhances flow, drying rate and gloss; as a diluent for flexographic and gravure inks, pressure-sensitive adhesives, leather finishes and synthetic resins; as an extraction medium for pharmaceuticals, flavors and essential oils; as a flavor carrier imparting banana-pear nuances to food, beverages, confectionery and e-cigarette liquids; in perfumes, cosmetics and deodorants to provide sweet top notes; as an intermediate in the manufacture of pharmaceuticals, surfactants and agrochemicals; and in precision metal and electronic cleaning formulations because its strong solvency for greases combines with clean evaporation to meet increasingly stringent VOC and toxicity regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1934.88
    methanol 2905.61
    isopropanol 1450.75
    water 16.12
    ethyl acetate 732.32
    n-propanol 1336.99
    acetone 1198.29
    n-butanol 1175.51
    acetonitrile 1109.6
    DMF 1328.51
    toluene 381.51
    isobutanol 936.35
    1,4-dioxane 1792.59
    methyl acetate 704.99
    THF 2108.13
    2-butanone 698.47
    n-pentanol 739.9
    sec-butanol 1114.56
    n-hexane 321.52
    ethylene glycol 473.79
    NMP 1436.45
    cyclohexane 469.9
    DMSO 1237.54
    n-butyl acetate 545.22
    n-octanol 513.44
    chloroform 2435.17
    n-propyl acetate 372.88
    acetic acid 1966.28
    dichloromethane 1987.49
    cyclohexanone 1310.57
    propylene glycol 622.58
    isopropyl acetate 422.13
    DMAc 1024.01
    2-ethoxyethanol 745.42
    isopentanol 838.09
    n-heptane 185.36
    ethyl formate 602.33
    1,2-dichloroethane 903.16
    n-hexanol 1038.47
    2-methoxyethanol 1485.12
    isobutyl acetate 235.8
    tetrachloromethane 395.18
    n-pentyl acetate 395.76
    transcutol 1821.24
    n-heptanol 345.99
    ethylbenzene 236.98
    MIBK 355.75
    2-propoxyethanol 1118.01
    tert-butanol 1468.2
    MTBE 787.17
    2-butoxyethanol 458.26
    propionic acid 1019.37
    o-xylene 266.95
    formic acid 668.83
    diethyl ether 870.94
    m-xylene 268.39
    p-xylene 311.57
    chlorobenzene 554.56
    dimethyl carbonate 208.96
    n-octane 62.84
    formamide 551.82
    cyclopentanone 1176.79
    2-pentanone 634.54
    anisole 407.74
    cyclopentyl methyl ether 937.16
    gamma-butyrolactone 1487.19
    1-methoxy-2-propanol 996.64
    pyridine 949.02
    3-pentanone 455.49
    furfural 1126.53
    n-dodecane 55.94
    diethylene glycol 769.45
    diisopropyl ether 243.8
    tert-amyl alcohol 1114.22
    acetylacetone 635.92
    n-hexadecane 61.9
    acetophenone 352.43
    methyl propionate 539.24
    isopentyl acetate 456.62
    trichloroethylene 1502.78
    n-nonanol 419.57
    cyclohexanol 1241.44
    benzyl alcohol 407.17
    2-ethylhexanol 492.08
    isooctanol 259.73
    dipropyl ether 462.78
    1,2-dichlorobenzene 476.71
    ethyl lactate 212.6
    propylene carbonate 775.37
    n-methylformamide 795.68
    2-pentanol 750.09
    n-pentane 287.97
    1-propoxy-2-propanol 696.93
    1-methoxy-2-propyl acetate 457.48
    2-(2-methoxypropoxy) propanol 497.7
    mesitylene 175.41
    ε-caprolactone 1128.95
    p-cymene 174.67
    epichlorohydrin 1255.82
    1,1,1-trichloroethane 954.67
    2-aminoethanol 802.94
    morpholine-4-carbaldehyde 1309.6
    sulfolane 1407.38
    2,2,4-trimethylpentane 110.95
    2-methyltetrahydrofuran 1495.99
    n-hexyl acetate 730.15
    isooctane 71.1
    2-(2-butoxyethoxy)ethanol 673.84
    sec-butyl acetate 245.62
    tert-butyl acetate 430.39
    decalin 145.92
    glycerin 653.07
    diglyme 949.17
    acrylic acid 805.05
    isopropyl myristate 257.8
    n-butyric acid 1212.99
    acetyl acetate 493.29
    di(2-ethylhexyl) phthalate 254.58
    ethyl propionate 345.05
    nitromethane 1624.53
    1,2-diethoxyethane 563.91
    benzonitrile 574.29
    trioctyl phosphate 194.84
    1-bromopropane 762.62
    gamma-valerolactone 1556.22
    n-decanol 295.12
    triethyl phosphate 188.9
    4-methyl-2-pentanol 362.74
    propionitrile 792.98
    vinylene carbonate 754.53
    1,1,2-trichlorotrifluoroethane 884.86
    DMS 390.3
    cumene 176.59
    2-octanol 290.33
    2-hexanone 408.04
    octyl acetate 347.93
    limonene 336.79
    1,2-dimethoxyethane 1203.86
    ethyl orthosilicate 183.86
    tributyl phosphate 235.9
    diacetone alcohol 534.96
    N,N-dimethylaniline 294.13
    acrylonitrile 815.3
    aniline 509.36
    1,3-propanediol 949.95
    bromobenzene 580.11
    dibromomethane 1401.85
    1,1,2,2-tetrachloroethane 1276.84
    2-methyl-cyclohexyl acetate 338.53
    tetrabutyl urea 311.28
    diisobutyl methanol 225.6
    2-phenylethanol 445.69
    styrene 284.92
    dioctyl adipate 364.51
    dimethyl sulfate 327.5
    ethyl butyrate 354.52
    methyl lactate 318.01
    butyl lactate 308.21
    diethyl carbonate 252.86
    propanediol butyl ether 572.37
    triethyl orthoformate 258.31
    p-tert-butyltoluene 170.33
    methyl 4-tert-butylbenzoate 389.71
    morpholine 1843.71
    tert-butylamine 985.58
    n-dodecanol 216.68
    dimethoxymethane 780.43
    ethylene carbonate 631.54
    cyrene 386.37
    2-ethoxyethyl acetate 449.71
    2-ethylhexyl acetate 356.67
    1,2,4-trichlorobenzene 540.99
    4-methylpyridine 955.63
    dibutyl ether 475.63
    2,6-dimethyl-4-heptanol 225.6
    DEF 767.22
    dimethyl isosorbide 789.87
    tetrachloroethylene 854.14
    eugenol 365.17
    triacetin 538.86
    span 80 552.22
    1,4-butanediol 402.25
    1,1-dichloroethane 1062.29
    2-methyl-1-pentanol 582.21
    methyl formate 611.58
    2-methyl-1-butanol 831.88
    n-decane 93.62
    butyronitrile 901.22
    3,7-dimethyl-1-octanol 435.63
    1-chlorooctane 309.74
    1-chlorotetradecane 120.3
    n-nonane 103.09
    undecane 67.96
    tert-butylcyclohexane 136.11
    cyclooctane 122.21
    cyclopentanol 1253.45
    tetrahydropyran 1628.85
    tert-amyl methyl ether 587.9
    2,5,8-trioxanonane 747.38
    1-hexene 637.8
    2-isopropoxyethanol 482.91
    2,2,2-trifluoroethanol 420.69
    methyl butyrate 490.25

    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