Acetaldehyde

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  • Identifiers

    CAS number
    75-07-0

    Molecular formula
    C2H4O

    SMILES
    CC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 451.5
    • Carbowax: 697.5

  • Odor profile

    Fruity 80.25%
    Ethereal 79.65%
    Pungent 71.66%
    Alcoholic 59.36%
    Nutty 56.42%
    Sharp 52.79%
    Fresh 47.14%
    Rummy 45.02%
    Winey 44.43%
    Fermented 42.91%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.0028 [mmHg]. Odor Threshold High: 1000.0 [mmHg]. Detection odor threshold from AIHA (mean = 0.067 ppm). Odor threshold = 0.21 ppm
    • Recognition in air= 2.1x10-1 ppm (chemically pure)
    • Odor low: 0.0002 mg/cu m; Odor high: 4.14 mg/cu m

  • Properties

    XLogP3-AA
    -0.3

    Molecular weight
    44.05 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -190.3 °F (NTP, 1992)
    • -123.4 °C
    • -123 °C
    • -190 °F

    Boiling point

    • 70 °F at 760 mmHg (NTP, 1992)
    • 20.8 °C
    • 20.2 °C
    • 69 °F

    Flash point est.
    -29.38 ˚C

    Flash point expt.

    • -40 °F (NTP, 1992)
    • -40 °C (-40 °F) - closed cup
    • -38.89 °C (Closed cup); -40 °C (Open cup)
    • -38 °C c.c.
    • -36 °F

    Solubility expt.

    • 0.1 to 1.0 mg/mL at 66 °F (NTP, 1992)
    • Miscible with water /1X10+6 mg/L at 25 °C/
    • Miscible with ethanol, ether, benzene; slightly soluble in chloroform
    • Acetaldehyde is miscible in all proportions with water and most common organic solvents, eg, acetone, benzene, ethyl alcohol, ethyl ether, gasoline, paraldehyde, toluene, xylenes, turpentine, and acetic acid.
    • 1000.0 mg/mL
    • Solubility in water: miscible
    • miscible with water, alcohol, organic solvents
    • Miscible

  • Synonyms

    • acetaldehyde
    • ethanal
    • 75-07-0
    • acetic aldehyde
    • ethyl aldehyde
    • Acetaldehyd
    • Acetylaldehyde
    • aldehyde
    • Aldeide acetica
    • Octowy aldehyd
    • Aldehyde acetique
    • Ethylaldehyde
    • Azetaldehyd
    • Acetic ethanol
    • RCRA waste number U001
    • NSC 7594
    • acetaldehydes
    • NCI-C56326
    • Acetaldehyde (natural)
    • FEMA No. 2003
    • CCRIS 1396
    • HSDB 230
    • ACETYL GROUP
    • ethaldehyde
    • MFCD00006991
    • CHEBI:15343
    • UNII-GO1N1ZPR3B
    • GO1N1ZPR3B
    • AI3-31167
    • EINECS 200-836-8
    • UN1089
    • DTXSID5039224
    • CH3CHO
    • NSC-7594
    • DTXCID202
    • ethanone
    • NSC7594
    • EC 200-836-8
    • ACETALDEHYDE (IARC)
    • ACETALDEHYDE [IARC]
    • ACETALDEHYDE (USP-RS)
    • ACETALDEHYDE [USP-RS]
    • Acetaldehyd [German]
    • Acetaldehido
    • Octowy aldehyd [Polish]
    • Aldeide acetica [Italian]
    • Aldehyde acetique [French]
    • Acetic aldehyde; Ethanal; Ethyl aldehyde; NSC 7594
    • RCRA waste no. U001
    • Acetaldehyde, >=99%, meets FCC analytical specification
    • acetaldhyde
    • acetoaldehyde
    • Acetaldeyde
    • Acetehyde
    • acetic hydride
    • ethan-1-one
    • 8 - Formaldehyde
    • Acetaldehyde1501
    • MeCHO
    • Acetaldehyde Phenolic
    • ACETALD
    • CH2CHO
    • ACETALDEHYDE [MI]
    • ACETALDEHYDE [FCC]
    • bmse000647
    • Epitope ID:145667
    • ACETALDEHYDE [FHFI]
    • ACETALDEHYDE [HPUS]
    • ACETALDEHYDE [HSDB]
    • WLN: VH1
    • Pesticide Code: 202300
    • ACETALDEHYDE [WHO-DD]
    • Acetaldehyde, >=99%, FG
    • BIDD:ER0621
    • Acetaldehyde, >=99%, FCC
    • CHEMBL170365
    • GTPL6277
    • Acetaldehyde, analytical standard
    • CHEBI:16571
    • STR01382
    • Tox21_202479
    • Acetaldehyde, natural, >=99%, FG
    • Acetaldehyde, ReagentPlus(R), 99%
    • STL264249
    • AKOS000120180
    • Acetaldehyde 1000 microg/mL in Water
    • UN 1089
    • Acetaldehyde, ACS reagent, >=99.5%
    • CAS-75-07-0
    • Acetaldehyde, >=99%, FCC, stabilized
    • NCGC00091753-01
    • NCGC00260028-01
    • Acetaldehyde 1000 microg/mL in Methanol
    • InChI=1/C2H4O/c1-2-3/h2H,1H
    • MSK005046-10000A
    • Acetaldehyde, >=90.0%, SAJ first grade
    • A1640
    • Acetaldehyde [UN1089] [Flammable liquid]
    • NS00010070
    • EN300-19152
    • C00084
    • D78540
    • Q61457
    • Acetaldehyde, ReagentPlus(R), >=99.0% (GC)
    • A838317
    • Acetaldehyde Solution in Acetonitrile, 10000ug/mL
    • BRD-K77914232-001-01-3
    • Q57695648
    • Acetaldehyde, puriss. p.a., anhydrous, >=99.5% (GC)
    • F2190-0651
    • Flavor and Extract Manufacturers' Association Number 2003
    • Acetaldehyde, United States Pharmacopeia (USP) Reference Standard
    • VINYL ALCOHOL (FROM ALCOHOLYSIS OR HYDROLYSIS OF VINYL ACETATE UNITS)
    • 200-836-8

  • Applications

    Acetaldehyde (CAS 75-07-0) is a pivotal industrial intermediate, widely employed in producing basic chemicals such as acetic acid, acetic anhydride, butyl acrylate and acrolein; as a precursor for pharmaceuticals like paraldehyde and chloral hydrate; in the manufacture of synthetic resins, rubber and PVC; as a key feedstock for pentaerythritol in alkyd paints and explosives, 1,3-butylene glycol for elastomeric resins, and pyridines for agrochemicals; it is used in flavors to impart fruity, caramel and spirit notes and in perfumery; and it also functions as a disinfectant, preservative, dye intermediate, rubber vulcanization accelerator, paper-surface hardener, and raw material for solvents, adhesives, photographic chemicals and various halogenated derivatives.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 269.9
    methanol 508.38
    isopropanol 170.87
    water 110.29
    ethyl acetate 150.5
    n-propanol 151.83
    acetone 325.24
    n-butanol 124.91
    acetonitrile 335.07
    DMF 709.81
    toluene 44.08
    isobutanol 105.37
    1,4-dioxane 223.02
    methyl acetate 201.19
    THF 219.4
    2-butanone 174.84
    n-pentanol 80.41
    sec-butanol 118.72
    n-hexane 22.55
    ethylene glycol 175.24
    NMP 593.4
    cyclohexane 22.56
    DMSO 425.24
    n-butyl acetate 58.93
    n-octanol 59.29
    chloroform 310.92
    n-propyl acetate 66.63
    acetic acid 631.15
    dichloromethane 309.41
    cyclohexanone 196.16
    propylene glycol 140.05
    isopropyl acetate 70.09
    DMAc 577.86
    2-ethoxyethanol 157.1
    isopentanol 88.81
    n-heptane 14.55
    ethyl formate 139.94
    1,2-dichloroethane 150.91
    n-hexanol 62.62
    2-methoxyethanol 335.63
    isobutyl acetate 35.11
    tetrachloromethane 55.29
    n-pentyl acetate 50.89
    transcutol 399.9
    n-heptanol 33.63
    ethylbenzene 26.58
    MIBK 54.45
    2-propoxyethanol 136.34
    tert-butanol 153.18
    MTBE 86.68
    2-butoxyethanol 74.02
    propionic acid 266.67
    o-xylene 40.67
    formic acid 381.8
    diethyl ether 98.56
    m-xylene 31.55
    p-xylene 40.34
    chlorobenzene 87.76
    dimethyl carbonate 84.83
    n-octane 6.98
    formamide 346.76
    cyclopentanone 261.99
    2-pentanone 111.75
    anisole 76.02
    cyclopentyl methyl ether 98.44
    gamma-butyrolactone 323.73
    1-methoxy-2-propanol 205.82
    pyridine 195.38
    3-pentanone 98.27
    furfural 349.74
    n-dodecane 7.48
    diethylene glycol 174.09
    diisopropyl ether 25.21
    tert-amyl alcohol 118.92
    acetylacetone 159.1
    n-hexadecane 7.94
    acetophenone 82.63
    methyl propionate 147.99
    isopentyl acetate 49.25
    trichloroethylene 290.12
    n-nonanol 49.1
    cyclohexanol 109.19
    benzyl alcohol 89.24
    2-ethylhexanol 39.96
    isooctanol 27.12
    dipropyl ether 43.87
    1,2-dichlorobenzene 86.26
    ethyl lactate 60.93
    propylene carbonate 156.13
    n-methylformamide 359.66
    2-pentanol 74.47
    n-pentane 19.86
    1-propoxy-2-propanol 91.95
    1-methoxy-2-propyl acetate 72.09
    2-(2-methoxypropoxy) propanol 111.12
    mesitylene 20.8
    ε-caprolactone 178.01
    p-cymene 20.29
    epichlorohydrin 231.67
    1,1,1-trichloroethane 132.08
    2-aminoethanol 198.37
    morpholine-4-carbaldehyde 436.04
    sulfolane 347.35
    2,2,4-trimethylpentane 11.74
    2-methyltetrahydrofuran 153.69
    n-hexyl acetate 88.97
    isooctane 5.75
    2-(2-butoxyethoxy)ethanol 137.96
    sec-butyl acetate 39.64
    tert-butyl acetate 59.93
    decalin 12.47
    glycerin 216.31
    diglyme 217.86
    acrylic acid 310.19
    isopropyl myristate 34.13
    n-butyric acid 209.26
    acetyl acetate 121.55
    di(2-ethylhexyl) phthalate 45.24
    ethyl propionate 76.17
    nitromethane 678.44
    1,2-diethoxyethane 92.13
    benzonitrile 120.58
    trioctyl phosphate 27.82
    1-bromopropane 78.53
    gamma-valerolactone 348.85
    n-decanol 36.44
    triethyl phosphate 34.46
    4-methyl-2-pentanol 37.51
    propionitrile 155.91
    vinylene carbonate 170.55
    1,1,2-trichlorotrifluoroethane 253.67
    DMS 97.29
    cumene 22.19
    2-octanol 28.0
    2-hexanone 65.2
    octyl acetate 47.2
    limonene 31.28
    1,2-dimethoxyethane 223.65
    ethyl orthosilicate 31.1
    tributyl phosphate 41.4
    diacetone alcohol 95.0
    N,N-dimethylaniline 61.63
    acrylonitrile 249.12
    aniline 103.44
    1,3-propanediol 199.91
    bromobenzene 73.13
    dibromomethane 185.9
    1,1,2,2-tetrachloroethane 205.21
    2-methyl-cyclohexyl acetate 42.62
    tetrabutyl urea 60.3
    diisobutyl methanol 24.38
    2-phenylethanol 59.58
    styrene 41.87
    dioctyl adipate 58.41
    dimethyl sulfate 151.4
    ethyl butyrate 53.55
    methyl lactate 124.17
    butyl lactate 53.69
    diethyl carbonate 42.36
    propanediol butyl ether 105.82
    triethyl orthoformate 39.46
    p-tert-butyltoluene 18.98
    methyl 4-tert-butylbenzoate 70.3
    morpholine 251.12
    tert-butylamine 91.54
    n-dodecanol 28.49
    dimethoxymethane 194.5
    ethylene carbonate 122.09
    cyrene 93.85
    2-ethoxyethyl acetate 78.56
    2-ethylhexyl acetate 38.63
    1,2,4-trichlorobenzene 108.66
    4-methylpyridine 184.61
    dibutyl ether 56.52
    2,6-dimethyl-4-heptanol 24.38
    DEF 215.85
    dimethyl isosorbide 126.55
    tetrachloroethylene 162.39
    eugenol 79.19
    triacetin 112.83
    span 80 96.83
    1,4-butanediol 89.73
    1,1-dichloroethane 163.24
    2-methyl-1-pentanol 63.28
    methyl formate 252.1
    2-methyl-1-butanol 89.91
    n-decane 11.37
    butyronitrile 131.54
    3,7-dimethyl-1-octanol 52.45
    1-chlorooctane 33.31
    1-chlorotetradecane 15.65
    n-nonane 11.67
    undecane 8.87
    tert-butylcyclohexane 12.93
    cyclooctane 7.45
    cyclopentanol 137.76
    tetrahydropyran 137.77
    tert-amyl methyl ether 72.92
    2,5,8-trioxanonane 170.21
    1-hexene 49.87
    2-isopropoxyethanol 88.0
    2,2,2-trifluoroethanol 220.91
    methyl butyrate 99.92

    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
Aristolochia asclepiadifolia root Aristolochia asclepiadifolia, fam. Aristolochiaceae 0.8%
Orange, bitter (Spain) 2 72968-50-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.1%
Truffle, black (Perigord) Tuber melanosporum, fam. Ascomycetae 4.0%
Tagetes 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.02%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.04%
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%
Celery leaf/stem (Libya) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 1.2%
Fagraea berteriana flower Fagraea berteriana A. Gray ex Benth., fam. Potaliaceae 0.6%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 5.4%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 0.1%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.01%
Baga fruit Annona glabra L., fam. Annonaceae 0.01%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.01%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.1%
Lavender (Ukraine) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%
Cistus 8016-26-0 Cistus ladaniferus L. (C. ladanifer L.), fam. Cistaceae 1.24%