Butyraldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    123-72-8

    Molecular formula
    C4H8O

    SMILES
    CCCC=O

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 596.0
    • Carbowax: 864.0

  • Odor profile

    Fruity 86.08%
    Green 74.54%
    Ethereal 70.92%
    Pungent 69.79%
    Cocoa 56.54%
    Fresh 52.58%
    Alcoholic 52.45%
    Nutty 51.64%
    Fermented 49.95%
    Chocolate 49.53%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 0.005 [mmHg]. Odor Threshold High: 9.0 [mmHg]. Odor thresholds from AIHA
    • Odor threshold= 0.009 ppm

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.93 (neutral)

    Molecular weight
    72.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -146 °F (NTP, 1992)
    • -96.86 °C
    • -99 °C

    Boiling point

    • 167 °F at 760 mmHg (NTP, 1992)
    • 74.8 °C
    • 74.00 to 75.00 °C. @ 760.00 mm Hg

    Flash point est.
    -5.61 ˚C

    Flash point expt.

    • 20 °F (NTP, 1992)
    • 20 °F
    • -8 °F (-22 °C) (CLOSED CUP)
    • -12 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)
    • Miscible with ethanol, ether, ethyl acetate, acetone, toluene, many other organic solvents andoils
    • Soluble in water; miscible with ethanol; very olubl ein acetone, benzene; slightly soluble in chloroform
    • In water, 7.10X10+4 mg/L at 25 °C
    • 71 mg/mL at 25 °C
    • Solubility in water, g/100ml: 7
    • soluble in 1 ml in 15 ml water; miscible with alcohol, ether

  • Synonyms

    • butyraldehyde
    • butanal
    • 123-72-8
    • n-butyraldehyde
    • Butyral
    • 1-butanal
    • Butyric aldehyde
    • Butaldehyde
    • Butanaldehyde
    • Butal
    • n-Butanal
    • Butylaldehyde
    • Butalyde
    • Butyraldehyd
    • Butyl aldehyde
    • Aldeide butirrica
    • Aldehyde butyrique
    • Butyrylaldehyde
    • n-Butyl aldehyde
    • butan-1-al
    • NCI-C56291
    • FEMA Number 2219
    • NSC 62779
    • CCRIS 3221
    • HSDB 2798
    • n-C3H7CHO
    • EINECS 204-646-6
    • MFCD00007023
    • BRN 0506061
    • DTXSID8021513
    • CHEBI:15743
    • AI3-24198
    • UNII-H21352682A
    • NSC-62779
    • DTXCID601513
    • FEMA NO. 2219
    • H21352682A
    • BUTANAL N-BUTYRALDEHYDE
    • EC 204-646-6
    • 4-01-00-03229 (Beilstein Handbook Reference)
    • BUTYRALDEHYDE (USP-RS)
    • BUTYRALDEHYDE [USP-RS]
    • Butyraldehyd [German]
    • Aldehyde butyrique [French]
    • Aldeide butirrica [Italian]
    • 27789-14-6
    • Butyraldehyde (crude)
    • UN1129
    • Butirraldehido
    • butyr-aldehyde
    • n-Butylaldehyde
    • n -butyraldehyde
    • 1-butanone
    • n- butanal
    • n-butyric aldehyde
    • Butanal;1-Butanal
    • Butyraldehyde(CZECH
    • Butyraldehyde, 99%
    • BUTYRALDEHYDE [MI]
    • bmse000972
    • BUTYRALDEHYDE [FCC]
    • Butyraldehyde, natural, FG
    • WLN: VH3
    • BUTYRALDEHYDE [FHFI]
    • BUTYRALDEHYDE [HSDB]
    • Butyraldehyde, >=96.0%
    • Pesticide Code: 202500
    • CHEMBL1478334
    • Butyraldehyde, >=99.0%, dry
    • BCP29795
    • NSC62779
    • Tox21_202491
    • STL281871
    • AKOS000120429
    • UN 1129
    • NCGC00091658-01
    • NCGC00260040-01
    • CAS-123-72-8
    • FB168676
    • B0751
    • NS00007479
    • Butyraldehyde [UN1129] [Flammable liquid]
    • EN300-18029
    • C01412
    • Q410603
    • Butyraldehyde, purified by redistillation, >=99.5%
    • F2190-0595
    • InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H
    • Butyraldehyde, United States Pharmacopeia (USP) Reference Standard
    • 204-646-6
    • Butyraldehyde, analytical standard, contains ~0.1% 2,6-di-tert-butyl-4-methylphenol and ~1% water as stabilizer

  • Applications

    Butyraldehyde (CAS 123-72-8) is a straight-chain aliphatic aldehyde, colorless and volatile with a characteristic buttery odor, that holds a pivotal place in chemical manufacturing: most of it is hydrogenated to n-butanol or undergoes aldol condensation to 2-ethylhexenal followed by hydrogenation to 2-ethylhexanol, the cornerstone for producing phthalate plasticizers, lubricant additives and surfactants; it also feeds the synthesis of trimethylolpropane, neopentyl glycol and pentaerythritol for alkyd resins, polyurethane coatings and polyvinyl butyral safety glass; in rubber chemistry it is transformed into chloroprene and other vulcanization auxiliaries; agrochemical makers employ it as a building block for insecticides, herbicides and plant-growth regulators; pharmaceutical pathways incorporate it in the synthesis of vitamin B1, pyridoxine and certain antibiotics; thanks to its mild buttery note, it is used at trace levels in flavors, fragrances, food additives and tobacco, and it can act as an extraction solvent and viscosity-reducing agent in specialized solution systems.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 474.61
    methanol 677.56
    isopropanol 309.66
    water 6.94
    ethyl acetate 206.45
    n-propanol 323.91
    acetone 383.41
    n-butanol 294.89
    acetonitrile 273.57
    DMF 415.18
    toluene 35.92
    isobutanol 226.35
    1,4-dioxane 315.55
    methyl acetate 213.31
    THF 475.81
    2-butanone 238.35
    n-pentanol 170.95
    sec-butanol 241.99
    n-hexane 49.51
    ethylene glycol 188.88
    NMP 620.2
    cyclohexane 62.59
    DMSO 552.87
    n-butyl acetate 307.4
    n-octanol 152.85
    chloroform 673.79
    n-propyl acetate 161.1
    acetic acid 1484.43
    dichloromethane 499.89
    cyclohexanone 480.08
    propylene glycol 203.08
    isopropyl acetate 109.05
    DMAc 215.47
    2-ethoxyethanol 193.35
    isopentanol 198.01
    n-heptane 47.87
    ethyl formate 187.67
    1,2-dichloroethane 266.08
    n-hexanol 307.14
    2-methoxyethanol 397.01
    isobutyl acetate 96.66
    tetrachloromethane 106.85
    n-pentyl acetate 164.87
    transcutol 1103.6
    n-heptanol 130.69
    ethylbenzene 37.34
    MIBK 91.47
    2-propoxyethanol 337.0
    tert-butanol 308.45
    MTBE 105.31
    2-butoxyethanol 202.68
    propionic acid 623.97
    o-xylene 35.91
    formic acid 437.18
    diethyl ether 106.72
    m-xylene 31.54
    p-xylene 57.62
    chlorobenzene 172.74
    dimethyl carbonate 58.49
    n-octane 17.71
    formamide 363.84
    cyclopentanone 553.22
    2-pentanone 170.87
    anisole 96.14
    cyclopentyl methyl ether 195.61
    gamma-butyrolactone 710.47
    1-methoxy-2-propanol 266.45
    pyridine 319.95
    3-pentanone 116.59
    furfural 588.27
    n-dodecane 15.24
    diethylene glycol 300.25
    diisopropyl ether 34.84
    tert-amyl alcohol 218.61
    acetylacetone 213.34
    n-hexadecane 16.51
    acetophenone 121.67
    methyl propionate 150.19
    isopentyl acetate 239.76
    trichloroethylene 677.14
    n-nonanol 128.54
    cyclohexanol 287.2
    benzyl alcohol 113.97
    2-ethylhexanol 183.87
    isooctanol 107.59
    dipropyl ether 132.84
    1,2-dichlorobenzene 191.33
    ethyl lactate 102.72
    propylene carbonate 389.88
    n-methylformamide 325.55
    2-pentanol 174.83
    n-pentane 29.95
    1-propoxy-2-propanol 320.47
    1-methoxy-2-propyl acetate 196.64
    2-(2-methoxypropoxy) propanol 245.84
    mesitylene 25.87
    ε-caprolactone 415.05
    p-cymene 55.87
    epichlorohydrin 441.54
    1,1,1-trichloroethane 275.09
    2-aminoethanol 289.76
    morpholine-4-carbaldehyde 435.5
    sulfolane 872.08
    2,2,4-trimethylpentane 17.29
    2-methyltetrahydrofuran 358.63
    n-hexyl acetate 269.11
    isooctane 13.32
    2-(2-butoxyethoxy)ethanol 347.21
    sec-butyl acetate 85.25
    tert-butyl acetate 118.44
    decalin 28.89
    glycerin 300.38
    diglyme 463.49
    acrylic acid 670.66
    isopropyl myristate 96.15
    n-butyric acid 658.81
    acetyl acetate 165.07
    di(2-ethylhexyl) phthalate 113.35
    ethyl propionate 120.87
    nitromethane 964.17
    1,2-diethoxyethane 202.07
    benzonitrile 206.46
    trioctyl phosphate 90.23
    1-bromopropane 140.63
    gamma-valerolactone 579.0
    n-decanol 96.76
    triethyl phosphate 81.59
    4-methyl-2-pentanol 85.05
    propionitrile 204.7
    vinylene carbonate 362.66
    1,1,2-trichlorotrifluoroethane 515.09
    DMS 171.29
    cumene 37.85
    2-octanol 98.02
    2-hexanone 158.12
    octyl acetate 134.54
    limonene 93.75
    1,2-dimethoxyethane 239.28
    ethyl orthosilicate 74.79
    tributyl phosphate 117.49
    diacetone alcohol 198.33
    N,N-dimethylaniline 69.09
    acrylonitrile 308.63
    aniline 119.45
    1,3-propanediol 356.75
    bromobenzene 138.33
    dibromomethane 333.8
    1,1,2,2-tetrachloroethane 513.79
    2-methyl-cyclohexyl acetate 162.65
    tetrabutyl urea 143.45
    diisobutyl methanol 95.46
    2-phenylethanol 166.29
    styrene 53.85
    dioctyl adipate 163.45
    dimethyl sulfate 124.41
    ethyl butyrate 175.04
    methyl lactate 137.45
    butyl lactate 193.68
    diethyl carbonate 124.61
    propanediol butyl ether 289.44
    triethyl orthoformate 121.1
    p-tert-butyltoluene 50.26
    methyl 4-tert-butylbenzoate 161.65
    morpholine 390.85
    tert-butylamine 175.33
    n-dodecanol 74.5
    dimethoxymethane 125.9
    ethylene carbonate 250.9
    cyrene 167.02
    2-ethoxyethyl acetate 179.09
    2-ethylhexyl acetate 173.94
    1,2,4-trichlorobenzene 224.2
    4-methylpyridine 219.53
    dibutyl ether 148.98
    2,6-dimethyl-4-heptanol 95.46
    DEF 193.83
    dimethyl isosorbide 338.16
    tetrachloroethylene 400.82
    eugenol 201.83
    triacetin 252.93
    span 80 297.11
    1,4-butanediol 131.9
    1,1-dichloroethane 268.58
    2-methyl-1-pentanol 138.21
    methyl formate 228.5
    2-methyl-1-butanol 193.25
    n-decane 24.29
    butyronitrile 215.9
    3,7-dimethyl-1-octanol 155.16
    1-chlorooctane 90.0
    1-chlorotetradecane 37.82
    n-nonane 25.22
    undecane 18.57
    tert-butylcyclohexane 28.77
    cyclooctane 15.81
    cyclopentanol 377.65
    tetrahydropyran 318.72
    tert-amyl methyl ether 82.78
    2,5,8-trioxanonane 351.69
    1-hexene 115.17
    2-isopropoxyethanol 133.11
    2,2,2-trifluoroethanol 355.78
    methyl butyrate 185.51

    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
Artemisia scoparia (India) 1 Artemisia scoparia Waldst. & Kit., fam. Asteraceae (Compositae) 0.05%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.38%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 0.5%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%