Isopropyl propionate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    637-78-5

    Molecular formula
    C6H12O2

    SMILES
    CCC(=O)OC(C)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 950.0

  • Odor profile

    Fruity 98.13%
    Sweet 85.73%
    Ethereal 76.85%
    Pineapple 69.83%
    Banana 66.66%
    Apple 59.97%
    Rummy 58.45%
    Pear 43.57%
    Tropical 43.01%
    Ripe 42.76%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 108.00 to 111.00 °C. @ 760.00 mm Hg

    Flash point est.
    16.15 ˚C

    Solubility expt.

    • 5.95 mg/mL at 25 °C
    • completely miscible with alcohol and diluted alcohol

  • Synonyms

    • ISOPROPYL PROPIONATE
    • 637-78-5
    • Propanoic acid, 1-methylethyl ester
    • Isopropyl propanoate
    • propan-2-yl propanoate
    • Propionic acid, isopropyl ester
    • 1-Methylethyl propanoate
    • Propionic Acid Isopropyl Ester
    • iso-Propyl propanoate
    • FEMA No. 2959
    • iso-Propyl n-propionate
    • UNII-NGB0AK08T9
    • NGB0AK08T9
    • 2-propyl propionate
    • iso-propyl propionate
    • C2H5C(O)OCH(CH3)2
    • Isopropyl ester of propanoic acid
    • EINECS 211-300-8
    • DTXSID6060927
    • FEMA 2959
    • ISOPROPYL PROPIONATE [FHFI]
    • UN 2409
    • ISOPROPYLPROPIONATE
    • MFCD00051553
    • UN2409
    • Isopropyl propionic acid
    • Propan-2-yl propanoic acid
    • SCHEMBL128684
    • DTXCID1044069
    • CHEBI:89827
    • Isopropyl propionate, AldrichCPR
    • AKOS006228948
    • LS-13179
    • NS00022603
    • P0507
    • Isopropyl propionate [UN2409] [Flammable liquid]
    • Isopropyl propionate [UN2409] [Flammable liquid]
    • Q27162015
    • 211-300-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1064.49
    methanol 1655.14
    isopropanol 1051.27
    water 22.65
    ethyl acetate 1123.1
    n-propanol 1012.26
    acetone 1719.01
    n-butanol 945.26
    acetonitrile 1524.24
    DMF 2208.23
    toluene 585.01
    isobutanol 895.81
    1,4-dioxane 1539.57
    methyl acetate 1225.87
    THF 1773.37
    2-butanone 1349.77
    n-pentanol 694.4
    sec-butanol 1151.06
    n-hexane 446.1
    ethylene glycol 362.59
    NMP 2492.93
    cyclohexane 393.58
    DMSO 1573.41
    n-butyl acetate 750.45
    n-octanol 664.37
    chloroform 3068.82
    n-propyl acetate 672.57
    acetic acid 1845.03
    dichloromethane 2520.99
    cyclohexanone 1863.26
    propylene glycol 547.03
    isopropyl acetate 757.15
    DMAc 2171.41
    2-ethoxyethanol 747.23
    isopentanol 803.61
    n-heptane 182.16
    ethyl formate 750.2
    1,2-dichloroethane 1368.53
    n-hexanol 774.21
    2-methoxyethanol 1323.52
    isobutyl acetate 448.83
    tetrachloromethane 594.01
    n-pentyl acetate 668.01
    transcutol 1711.21
    n-heptanol 405.87
    ethylbenzene 422.18
    MIBK 685.78
    2-propoxyethanol 984.18
    tert-butanol 1321.88
    MTBE 1145.66
    2-butoxyethanol 560.46
    propionic acid 1222.9
    o-xylene 498.81
    formic acid 568.69
    diethyl ether 1036.79
    m-xylene 457.93
    p-xylene 612.29
    chlorobenzene 912.24
    dimethyl carbonate 451.03
    n-octane 99.33
    formamide 506.64
    cyclopentanone 1922.18
    2-pentanone 1098.91
    anisole 659.03
    cyclopentyl methyl ether 1117.81
    gamma-butyrolactone 2156.84
    1-methoxy-2-propanol 1140.99
    pyridine 1186.53
    3-pentanone 970.66
    furfural 1673.97
    n-dodecane 87.49
    diethylene glycol 693.75
    diisopropyl ether 392.77
    tert-amyl alcohol 1270.23
    acetylacetone 1339.06
    n-hexadecane 97.67
    acetophenone 734.9
    methyl propionate 972.97
    isopentyl acetate 671.36
    trichloroethylene 2597.71
    n-nonanol 511.11
    cyclohexanol 1085.71
    benzyl alcohol 579.87
    2-ethylhexanol 528.22
    isooctanol 341.38
    dipropyl ether 503.63
    1,2-dichlorobenzene 951.6
    ethyl lactate 381.61
    propylene carbonate 1276.1
    n-methylformamide 984.28
    2-pentanol 801.3
    n-pentane 293.25
    1-propoxy-2-propanol 734.41
    1-methoxy-2-propyl acetate 697.41
    2-(2-methoxypropoxy) propanol 580.94
    mesitylene 339.32
    ε-caprolactone 1626.37
    p-cymene 277.24
    epichlorohydrin 1630.94
    1,1,1-trichloroethane 1628.83
    2-aminoethanol 605.09
    morpholine-4-carbaldehyde 1822.43
    sulfolane 2570.54
    2,2,4-trimethylpentane 188.09
    2-methyltetrahydrofuran 1627.21
    n-hexyl acetate 1218.3
    isooctane 115.67
    2-(2-butoxyethoxy)ethanol 725.56
    sec-butyl acetate 508.18
    tert-butyl acetate 844.68
    decalin 217.3
    glycerin 677.8
    diglyme 1181.75
    acrylic acid 1096.03
    isopropyl myristate 367.58
    n-butyric acid 1256.62
    acetyl acetate 879.92
    di(2-ethylhexyl) phthalate 360.13
    ethyl propionate 702.72
    nitromethane 2260.85
    1,2-diethoxyethane 673.07
    benzonitrile 913.69
    trioctyl phosphate 276.49
    1-bromopropane 1060.17
    gamma-valerolactone 2122.43
    n-decanol 349.01
    triethyl phosphate 303.5
    4-methyl-2-pentanol 440.52
    propionitrile 1033.18
    vinylene carbonate 1238.26
    1,1,2-trichlorotrifluoroethane 1350.39
    DMS 773.81
    cumene 327.54
    2-octanol 412.23
    2-hexanone 778.45
    octyl acetate 497.79
    limonene 438.28
    1,2-dimethoxyethane 1289.29
    ethyl orthosilicate 287.87
    tributyl phosphate 362.88
    diacetone alcohol 856.83
    N,N-dimethylaniline 539.38
    acrylonitrile 1258.95
    aniline 650.74
    1,3-propanediol 768.61
    bromobenzene 977.23
    dibromomethane 1795.93
    1,1,2,2-tetrachloroethane 2232.8
    2-methyl-cyclohexyl acetate 489.04
    tetrabutyl urea 444.31
    diisobutyl methanol 294.61
    2-phenylethanol 537.94
    styrene 498.09
    dioctyl adipate 518.26
    dimethyl sulfate 873.38
    ethyl butyrate 561.33
    methyl lactate 573.57
    butyl lactate 506.32
    diethyl carbonate 399.76
    propanediol butyl ether 685.96
    triethyl orthoformate 378.95
    p-tert-butyltoluene 278.08
    methyl 4-tert-butylbenzoate 616.73
    morpholine 1568.97
    tert-butylamine 898.24
    n-dodecanol 259.21
    dimethoxymethane 1040.43
    ethylene carbonate 995.15
    cyrene 557.45
    2-ethoxyethyl acetate 688.96
    2-ethylhexyl acetate 544.84
    1,2,4-trichlorobenzene 1080.86
    4-methylpyridine 1522.65
    dibutyl ether 646.62
    2,6-dimethyl-4-heptanol 294.61
    DEF 1391.24
    dimethyl isosorbide 866.22
    tetrachloroethylene 1440.18
    eugenol 568.58
    triacetin 918.81
    span 80 613.58
    1,4-butanediol 373.92
    1,1-dichloroethane 1683.65
    2-methyl-1-pentanol 667.64
    methyl formate 849.8
    2-methyl-1-butanol 878.67
    n-decane 147.58
    butyronitrile 989.41
    3,7-dimethyl-1-octanol 566.97
    1-chlorooctane 500.91
    1-chlorotetradecane 184.2
    n-nonane 167.34
    undecane 107.68
    tert-butylcyclohexane 234.12
    cyclooctane 144.98
    cyclopentanol 1141.77
    tetrahydropyran 1450.23
    tert-amyl methyl ether 952.32
    2,5,8-trioxanonane 785.05
    1-hexene 831.76
    2-isopropoxyethanol 580.05
    2,2,2-trifluoroethanol 572.83
    methyl butyrate 916.97

    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
Tagetes (India) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.33%