Propionaldehyde

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  • Identifiers

    CAS number
    123-38-6

    Molecular formula
    C3H6O

    SMILES
    CCC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 786.0

  • Odor profile

    Fragrance
    Green 75.03%
    Ethereal 73.53%
    Pungent 69.43%
    Fruity 65.87%
    Alcoholic 57.74%
    Nutty 56.48%
    Fresh 54.11%
    Cocoa 51.93%
    Aldehydic 48.08%
    Fermented 46.51%

     

    Flavor
    Pungent 79.92%
    Nutty 64.06%
    Ethereal 57.68%
    Cocoa 53.51%
    Earthy 50.81%
    Alcohol 46.3%
    Fruity 45.63%
    Aldehydic 44.45%
    Musty 43.47%
    Ether 42.79%

     

    Odor impact est.
    High

    Odor threshold

    • 1 ppm.

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.89 (neutral)

    Molecular weight
    58.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -114 °F (NTP, 1992)
    • -80 °C
    • -81 °C
    • -114 °F

    Boiling point

    • 120 °F at 760 mmHg (NTP, 1992)
    • 48 °C
    • 49 °C
    • 120 °F

    Flash point

    • -23.02 ˚C est.
    • 15 °F (NTP, 1992)
    • -30 °C (closed cup)
    • -22 °F (-30 °C) (Closed cup)
    • 15-19 °F (open cup)
    • -30 °C c.c.
    • 15 °F

    Solubility expt.

    • 50 to 100 mg/mL at 64 °F (NTP, 1992)
    • Soluble in water; miscible with ethanol, ethyl ether
    • SOL IN CHLOROFORM
    • In water, 3.06X10+5 mg/L at 25 °C
    • 306 mg/mL at 25 °C
    • Solubility in water, g/100ml: 20
    • miscible with alcohol, ether, water

  • Synonyms

    • Propionaldehyde
    • propanal
    • 123-38-6
    • Propanaldehyde
    • Propaldehyde
    • Methylacetaldehyde
    • n-Propanal
    • Propylaldehyde
    • Propional
    • Propionic aldehyde
    • Propylic aldehyde
    • 1-Propanal
    • Propyl aldehyde
    • Aldehyde propionique
    • n-Propionaldehyde
    • 1-Propanone
    • Propanalaldehyde
    • Proprionaldehyde
    • FEMA No. 2923
    • FEMA Number 2923
    • Propionaldehyde (natural)
    • NCI-C61029
    • NSC 6493
    • CCRIS 2917
    • HSDB 1193
    • C2H5CHO
    • UNII-AMJ2B4M67V
    • EINECS 204-623-0
    • AMJ2B4M67V
    • MFCD00007020
    • DTXSID2021658
    • CHEBI:17153
    • AI3-16114
    • NSC-6493
    • DTXCID001658
    • EC 204-623-0
    • UN 1275
    • Propionaldehyde (>80%)
    • Propionaldehyd
    • methyl acetaldehyde
    • 25722-18-3
    • Aldehyde propionique [French]
    • UN1275
    • proprionaldhyde
    • propion aldehyde
    • Ethylcarboxyaldehyde
    • Propionaldehyde, 97%
    • ETHYLCARBOXALDEHYDE
    • WLN: VH2
    • PROPIONALDEHYDE [MI]
    • Pesticide Code: 202400
    • PROPIONALDEHYDE [FCC]
    • PROPIONALDEHYDE [FHFI]
    • PROPIONALDEHYDE [HSDB]
    • CHEMBL275626
    • Propionaldehyde, >=97%, FG
    • 2-methyl-branched fatty aldehyde
    • BDBM60952
    • DTXSID70166420
    • NSC6493
    • Propionaldehyde, analytical standard
    • STR01357
    • Tox21_201071
    • Propionaldehyde, reagent grade, 97%
    • STL264226
    • AKOS000119167
    • FP01745
    • Propionaldehyde, natural, >=98%, FG
    • NCGC00091772-01
    • NCGC00091772-02
    • NCGC00258624-01
    • CAS-123-38-6
    • NS00008781
    • P0498
    • EN300-19153
    • C00479
    • C22402
    • Propionaldehyde [UN1275] [Flammable liquid]
    • A805061
    • InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H
    • Q422909
    • F2190-0621
    • 2,5-Dioxo-1-[[1-oxo-6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexyl]oxy]-3-pyrrolidinesulfonic Acid Monosodium Salt;
    • 204-623-0

  • Applications

    Propionaldehyde (CAS 123-38-6) is a key building block in organic synthesis. In the fragrance and flavor industries, it is used as a building block for aroma compounds and natural notes; in pharmaceuticals, it serves as a precursor for various pharmaceutical intermediates; in coatings and plastics, it provides raw material for resins and coatings and can participate in polymerization and oxidation reactions to impart desired properties; in the polymers/plastics sector, it is used as a feedstock for polymer production and plastic formulations; and in general chemical manufacturing it may be used as a solvent or reactive intermediate, depending on the formulation and local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 754.14
    methanol 1304.47
    isopropanol 395.73
    water 39.31
    ethyl acetate 269.84
    n-propanol 417.04
    acetone 539.56
    n-butanol 389.18
    acetonitrile 581.19
    DMF 618.67
    toluene 83.73
    isobutanol 294.75
    1,4-dioxane 348.06
    methyl acetate 348.62
    THF 391.91
    2-butanone 358.5
    n-pentanol 285.56
    sec-butanol 313.16
    n-hexane 66.73
    ethylene glycol 254.33
    NMP 607.59
    cyclohexane 52.36
    DMSO 617.53
    n-butyl acetate 420.11
    n-octanol 209.59
    chloroform 842.26
    n-propyl acetate 269.66
    acetic acid 1571.13
    dichloromethane 820.67
    cyclohexanone 457.31
    propylene glycol 214.68
    isopropyl acetate 149.6
    DMAc 451.8
    2-ethoxyethanol 347.51
    isopentanol 316.0
    n-heptane 49.77
    ethyl formate 363.59
    1,2-dichloroethane 389.52
    n-hexanol 307.4
    2-methoxyethanol 567.59
    isobutyl acetate 158.86
    tetrachloromethane 179.72
    n-pentyl acetate 244.19
    transcutol 1297.89
    n-heptanol 165.16
    ethylbenzene 87.22
    MIBK 150.8
    2-propoxyethanol 398.59
    tert-butanol 375.64
    MTBE 199.92
    2-butoxyethanol 282.33
    propionic acid 635.48
    o-xylene 81.82
    formic acid 728.78
    diethyl ether 183.47
    m-xylene 61.72
    p-xylene 142.36
    chlorobenzene 253.29
    dimethyl carbonate 92.53
    n-octane 26.08
    formamide 641.76
    cyclopentanone 499.08
    2-pentanone 248.93
    anisole 193.63
    cyclopentyl methyl ether 176.52
    gamma-butyrolactone 664.7
    1-methoxy-2-propanol 317.89
    pyridine 443.49
    3-pentanone 178.39
    furfural 743.19
    n-dodecane 21.14
    diethylene glycol 331.94
    diisopropyl ether 57.68
    tert-amyl alcohol 316.98
    acetylacetone 256.85
    n-hexadecane 22.08
    acetophenone 251.36
    methyl propionate 206.22
    isopentyl acetate 325.0
    trichloroethylene 849.45
    n-nonanol 169.6
    cyclohexanol 262.8
    benzyl alcohol 227.45
    2-ethylhexanol 216.06
    isooctanol 140.74
    dipropyl ether 165.27
    1,2-dichlorobenzene 256.21
    ethyl lactate 150.71
    propylene carbonate 395.13
    n-methylformamide 527.43
    2-pentanol 227.76
    n-pentane 48.25
    1-propoxy-2-propanol 329.45
    1-methoxy-2-propyl acetate 214.79
    2-(2-methoxypropoxy) propanol 289.73
    mesitylene 44.39
    ε-caprolactone 443.98
    p-cymene 88.45
    epichlorohydrin 498.96
    1,1,1-trichloroethane 334.31
    2-aminoethanol 370.04
    morpholine-4-carbaldehyde 537.06
    sulfolane 675.9
    2,2,4-trimethylpentane 33.03
    2-methyltetrahydrofuran 353.54
    n-hexyl acetate 329.93
    isooctane 21.01
    2-(2-butoxyethoxy)ethanol 388.19
    sec-butyl acetate 152.17
    tert-butyl acetate 146.63
    decalin 36.69
    glycerin 289.94
    diglyme 619.32
    acrylic acid 710.41
    isopropyl myristate 111.17
    n-butyric acid 677.08
    acetyl acetate 212.47
    di(2-ethylhexyl) phthalate 142.96
    ethyl propionate 186.36
    nitromethane 1192.13
    1,2-diethoxyethane 341.23
    benzonitrile 395.96
    trioctyl phosphate 104.21
    1-bromopropane 238.91
    gamma-valerolactone 605.22
    n-decanol 121.84
    triethyl phosphate 113.75
    4-methyl-2-pentanol 128.51
    propionitrile 360.61
    vinylene carbonate 428.87
    1,1,2-trichlorotrifluoroethane 548.61
    DMS 219.17
    cumene 81.46
    2-octanol 131.17
    2-hexanone 274.82
    octyl acetate 152.14
    limonene 123.71
    1,2-dimethoxyethane 460.3
    ethyl orthosilicate 108.58
    tributyl phosphate 155.61
    diacetone alcohol 217.04
    N,N-dimethylaniline 147.57
    acrylonitrile 546.36
    aniline 199.8
    1,3-propanediol 428.44
    bromobenzene 212.8
    dibromomethane 523.38
    1,1,2,2-tetrachloroethane 568.8
    2-methyl-cyclohexyl acetate 198.78
    tetrabutyl urea 178.8
    diisobutyl methanol 108.8
    2-phenylethanol 220.57
    styrene 133.19
    dioctyl adipate 188.92
    dimethyl sulfate 158.48
    ethyl butyrate 254.78
    methyl lactate 162.69
    butyl lactate 244.28
    diethyl carbonate 184.25
    propanediol butyl ether 349.63
    triethyl orthoformate 162.3
    p-tert-butyltoluene 72.04
    methyl 4-tert-butylbenzoate 210.58
    morpholine 403.02
    tert-butylamine 254.41
    n-dodecanol 90.31
    dimethoxymethane 203.62
    ethylene carbonate 301.42
    cyrene 212.23
    2-ethoxyethyl acetate 280.69
    2-ethylhexyl acetate 250.47
    1,2,4-trichlorobenzene 293.35
    4-methylpyridine 429.28
    dibutyl ether 210.44
    2,6-dimethyl-4-heptanol 108.8
    DEF 331.35
    dimethyl isosorbide 377.05
    tetrachloroethylene 524.95
    eugenol 266.56
    triacetin 315.71
    span 80 298.46
    1,4-butanediol 222.78
    1,1-dichloroethane 378.41
    2-methyl-1-pentanol 261.78
    methyl formate 409.42
    2-methyl-1-butanol 298.2
    n-decane 33.45
    butyronitrile 401.35
    3,7-dimethyl-1-octanol 199.58
    1-chlorooctane 113.98
    1-chlorotetradecane 45.69
    n-nonane 35.24
    undecane 25.59
    tert-butylcyclohexane 39.2
    cyclooctane 18.43
    cyclopentanol 301.35
    tetrahydropyran 298.71
    tert-amyl methyl ether 155.65
    2,5,8-trioxanonane 435.71
    1-hexene 190.88
    2-isopropoxyethanol 239.73
    2,2,2-trifluoroethanol 430.12
    methyl butyrate 314.6

    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
Truffle, black (Perigord) Tuber melanosporum, fam. Ascomycetae 0.05%
Ginger (India) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 1.6%