Pentyl formate

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  • Identifiers

    CAS number
    638-49-3

    Molecular formula
    C6H12O2

    SMILES
    CCCCCOC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 97.01%
    Ethereal 75.91%
    Green 72.67%
    Sweet 69.69%
    Apple 61.71%
    Banana 57.97%
    Rummy 52.91%
    Winey 51.29%
    Pineapple 47.16%
    Fresh 46.27%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -73.5 °C

    Boiling point

    • 130.00 to 131.00 °C. @ 760.00 mm Hg

    Flash point est.
    32.0 ˚C

    Flash point expt.

    • 79 °F (NFPA, 2010)

    Solubility expt.

    • miscible with alcohol, ether, most organic solvents

  • Synonyms

    • Amyl formate
    • Pentyl formate
    • 638-49-3
    • Formic acid, pentyl ester
    • n-Amyl formate
    • n-Pentyl methanoate
    • N-PENTYL FORMATE
    • Amyl methanoate
    • Pentyl methanoate
    • m-Pentyl formate
    • FEMA No. 2068
    • Formic Acid n-Amyl Ester
    • EINECS 211-340-6
    • NSC 72023
    • BRN 1743363
    • UNII-P46O2510D8
    • AI3-24242
    • 1-PENTYL FORMATE
    • NSC-72023
    • P46O2510D8
    • AMYL FORMATE [FCC]
    • AMYL FORMATE [FHFI]
    • DTXSID2047698
    • Amyl formate fcc
    • Amylformiat
    • pentyl ormate
    • nPentyl formate
    • nPentyl methanoate
    • 3-Pentanol formate
    • MFCD00040440
    • UN1109
    • Formic Acid Amyl Ester
    • formic acid pentyl ester
    • WLN: VHO5
    • Methanoic acid, pentyl ester
    • SCHEMBL28169
    • Amyl formate, >=95%, FG
    • DTXCID0027696
    • FEMA 2068
    • CHEBI:173428
    • NSC72023
    • AKOS024390830
    • DB-054564
    • F0049
    • NS00011969
    • Q3077515

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2369.84
    methanol 3980.6
    isopropanol 1067.41
    water 1.75
    ethyl acetate 1155.1
    n-propanol 1263.66
    acetone 2578.74
    n-butanol 1161.32
    acetonitrile 1205.72
    DMF 2893.55
    toluene 339.64
    isobutanol 729.35
    1,4-dioxane 1300.63
    methyl acetate 951.06
    THF 2362.26
    2-butanone 1331.89
    n-pentanol 618.48
    sec-butanol 738.87
    n-hexane 95.8
    ethylene glycol 539.35
    NMP 2446.51
    cyclohexane 150.43
    DMSO 5249.47
    n-butyl acetate 1135.99
    n-octanol 205.35
    chloroform 1875.4
    n-propyl acetate 786.89
    acetic acid 2921.68
    dichloromethane 2350.88
    cyclohexanone 2192.9
    propylene glycol 537.33
    isopropyl acetate 523.61
    DMAc 1105.52
    2-ethoxyethanol 896.4
    isopentanol 816.56
    n-heptane 52.18
    ethyl formate 990.59
    1,2-dichloroethane 1764.05
    n-hexanol 653.78
    2-methoxyethanol 2262.17
    isobutyl acetate 354.63
    tetrachloromethane 312.75
    n-pentyl acetate 410.95
    transcutol 3593.25
    n-heptanol 190.14
    ethylbenzene 195.63
    MIBK 505.9
    2-propoxyethanol 1090.87
    tert-butanol 1021.78
    MTBE 553.14
    2-butoxyethanol 486.93
    propionic acid 1327.77
    o-xylene 221.64
    formic acid 1233.64
    diethyl ether 640.31
    m-xylene 234.67
    p-xylene 262.72
    chlorobenzene 775.19
    dimethyl carbonate 288.57
    n-octane 16.42
    formamide 1831.77
    cyclopentanone 2715.21
    2-pentanone 1169.57
    anisole 463.16
    cyclopentyl methyl ether 1029.44
    gamma-butyrolactone 2862.79
    1-methoxy-2-propanol 1243.47
    pyridine 1765.24
    3-pentanone 634.59
    furfural 2506.09
    n-dodecane 10.75
    diethylene glycol 883.89
    diisopropyl ether 146.54
    tert-amyl alcohol 772.03
    acetylacetone 1239.07
    n-hexadecane 12.67
    acetophenone 517.37
    methyl propionate 844.04
    isopentyl acetate 788.42
    trichloroethylene 3231.27
    n-nonanol 165.77
    cyclohexanol 982.47
    benzyl alcohol 494.85
    2-ethylhexanol 359.27
    isooctanol 150.25
    dipropyl ether 370.85
    1,2-dichlorobenzene 729.62
    ethyl lactate 302.05
    propylene carbonate 1322.82
    n-methylformamide 2009.77
    2-pentanol 525.04
    n-pentane 68.55
    1-propoxy-2-propanol 807.06
    1-methoxy-2-propyl acetate 750.48
    2-(2-methoxypropoxy) propanol 478.94
    mesitylene 147.49
    ε-caprolactone 1604.61
    p-cymene 143.6
    epichlorohydrin 2480.03
    1,1,1-trichloroethane 1164.44
    2-aminoethanol 993.22
    morpholine-4-carbaldehyde 1803.67
    sulfolane 3636.27
    2,2,4-trimethylpentane 32.21
    2-methyltetrahydrofuran 1831.11
    n-hexyl acetate 559.74
    isooctane 24.31
    2-(2-butoxyethoxy)ethanol 756.24
    sec-butyl acetate 394.72
    tert-butyl acetate 581.66
    decalin 62.63
    glycerin 694.37
    diglyme 1381.91
    acrylic acid 1296.11
    isopropyl myristate 152.17
    n-butyric acid 1816.99
    acetyl acetate 623.84
    di(2-ethylhexyl) phthalate 192.75
    ethyl propionate 562.88
    nitromethane 3871.01
    1,2-diethoxyethane 813.47
    benzonitrile 766.2
    trioctyl phosphate 124.66
    1-bromopropane 705.27
    gamma-valerolactone 2804.2
    n-decanol 112.68
    triethyl phosphate 207.78
    4-methyl-2-pentanol 239.83
    propionitrile 829.62
    vinylene carbonate 1140.79
    1,1,2-trichlorotrifluoroethane 1941.99
    DMS 464.19
    cumene 128.44
    2-octanol 131.16
    2-hexanone 775.87
    octyl acetate 205.96
    limonene 239.96
    1,2-dimethoxyethane 1400.23
    ethyl orthosilicate 200.88
    tributyl phosphate 196.29
    diacetone alcohol 860.06
    N,N-dimethylaniline 294.48
    acrylonitrile 1361.93
    aniline 733.02
    1,3-propanediol 1284.25
    bromobenzene 734.22
    dibromomethane 1395.22
    1,1,2,2-tetrachloroethane 2295.65
    2-methyl-cyclohexyl acetate 381.23
    tetrabutyl urea 253.42
    diisobutyl methanol 190.41
    2-phenylethanol 479.61
    styrene 304.46
    dioctyl adipate 295.44
    dimethyl sulfate 591.33
    ethyl butyrate 619.84
    methyl lactate 446.22
    butyl lactate 417.21
    diethyl carbonate 350.04
    propanediol butyl ether 620.76
    triethyl orthoformate 334.35
    p-tert-butyltoluene 132.97
    methyl 4-tert-butylbenzoate 333.52
    morpholine 2059.47
    tert-butylamine 561.2
    n-dodecanol 79.98
    dimethoxymethane 923.11
    ethylene carbonate 846.57
    cyrene 441.9
    2-ethoxyethyl acetate 628.93
    2-ethylhexyl acetate 575.96
    1,2,4-trichlorobenzene 806.81
    4-methylpyridine 1427.5
    dibutyl ether 298.58
    2,6-dimethyl-4-heptanol 190.41
    DEF 1257.43
    dimethyl isosorbide 827.14
    tetrachloroethylene 1694.99
    eugenol 413.19
    triacetin 507.66
    span 80 479.11
    1,4-butanediol 396.6
    1,1-dichloroethane 1262.7
    2-methyl-1-pentanol 518.64
    methyl formate 1299.08
    2-methyl-1-butanol 704.88
    n-decane 20.14
    butyronitrile 983.82
    3,7-dimethyl-1-octanol 247.93
    1-chlorooctane 125.6
    1-chlorotetradecane 42.11
    n-nonane 21.42
    undecane 13.94
    tert-butylcyclohexane 53.88
    cyclooctane 38.57
    cyclopentanol 1217.94
    tetrahydropyran 1558.31
    tert-amyl methyl ether 393.24
    2,5,8-trioxanonane 830.83
    1-hexene 352.6
    2-isopropoxyethanol 537.55
    2,2,2-trifluoroethanol 646.66
    methyl butyrate 946.14

    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