Crotonaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    4170-30-3

    Molecular formula
    C4H6O

    SMILES
    C/C=C/C=O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 657.0
    • Carbowax: 1012.0

  • Odor profile

    Pungent 76.62%
    Spicy 72.11%
    Fruity 65.37%
    Sharp 60.11%
    Almond 50.64%
    Ethereal 49.59%
    Nutty 47.6%
    Herbal 41.83%
    Cherry 41.72%
    Green 41.14%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 0.06 [mmHg]. Odor Threshold High: 0.2 [mmHg]. Detection odor threshold from AIHA (mean = 0.11 ppm)
    • Odor Threshold Low: 0.03 [mmHg]. Odor Threshold High: 1.05 [mmHg]. The Guide in the Emergency Response Guidebook is for "Crotonaldehyde, stabilized." Odor threshold from HSDB
    • The median odor threshold of crotonaldehyde /was/ 0.8 ppb
    • Odor detection in air 2.10X10-2 mg/L of chemically pure gas.
    • Odor detection in water 5.25X10+2 ppb (chemically pure)
    • Odor recognition in water 5.25X10+2 ppb (gas chromatically pure)
    • Odor low: 0.105 mg/cu m; Odor high: 3.0 mg/cu m
    • Odor detection in air 5.25X10+2 ppb (gas chromatically pure)
    • Odor low: 0.1050 mg/cu m; Odor high: 3.0000 mg/cu m

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.41 (neutral)

    Molecular weight
    70.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -105 °F (EPA, 1998)
    • -101 °F (EPA, 1998)
    • -69 °C
    • -76.6 °C
    • -76.5 °C (trans), -69 °C (cis)
    • -101 °F

    Boiling point

    • 219 °F at 760 mmHg (EPA, 1998)
    • 219.2 °F at 760 mmHg (EPA, 1998)
    • 102.2 °C
    • 104.00 °C. @ 760.00 mm Hg
    • 104 °C
    • 219 °F

    Flash point est.
    0.56 ˚C

    Flash point expt.

    • 55 °F (EPA, 1998)
    • 55.4 °F (EPA, 1998)
    • The Guide from the Emergency Response Guidebook is for "crotonaldehyde, inhibited." 13 °C
    • 13 °C (55 °F) Closed cup
    • 9 °C (48 °F) - closed cup
    • 13 °C c.c.
    • 55 °F
    • 45 °F

    Solubility expt.

    • less than 0.1 mg/mL at 65.3 °F (NTP, 1992)
    • Heat capacity: 0.7 ca/g ... Dimerizes under strong acid conditions, slowly oxidizes to crotonic acid. Solubility of water in crotonaldehyde (g/100g) at 20 °C: 9.5; at 5 °C: 19.2
    • In water (g/100 g): 18.1 at 20 °C; 19.2 at 5 °C
    • In water, 1.81X10+5 mg/L at 20 °C
    • Soluble in chloroform; very soluble in ethanol, ethyl ether, acetone; miscible in benzene
    • Miscible with all proportions with alcohol, ether, toluene, kerosesne, gasolene, solvent naphtha
    • In water, 1.5X10+5 mg/L at 20 °C
    • In water, 1.56X10+5 mg/L at 25 °C
    • Soluble in water
    • In water, 181,000 ppm at 20 °C
    • Soluble in chloroform; very soluble in ethanol, ethyl ether, acetone; miscible with benzene
    • 150 mg/mL at 2 °C
    • Solubility in water, g/100ml at 20 °C: 15-18 (freely soluble)
    • 18%

  • Synonyms

    • CROTONALDEHYDE
    • 2-Butenal
    • Crotonal
    • Crotylaldehyde
    • (2E)-but-2-enal
    • 123-73-9
    • trans-Crotonaldehyde
    • (E)-Crotonaldehyde
    • Methylpropenal
    • Crotonic aldehyde
    • trans-2-Butenal
    • 1-Formylpropene
    • (E)-but-2-enal
    • 2-Butenal, (2E)-
    • Propylene aldehyde
    • beta-Methylacrolein
    • 2-Butenaldehyde
    • Aldehyde crotonique
    • Krotonaldehyd
    • trans-but-2-enal
    • Topanel
    • trans- Crotonal
    • trans-2-butenaldehyde
    • Topanel CA
    • 4170-30-3
    • 2-Butenal, (E)-
    • E-2-Butenal
    • beta-Methyl acrolein
    • RCRA waste number U053
    • CROTONALDEHYDE, (E)-
    • 2-Butenal, inhibited
    • CCRIS 909
    • NSC 56354
    • (E)-Crotonaldehyde (IUPAC)
    • HSDB 252
    • CHEBI:41607
    • Crotonaldehyde, inhibited
    • NCI-C56279
    • but-2-enal
    • 3-Methylacrolein, inhibited
    • AI3-18303 (USDA)
    • EINECS 224-030-0
    • UNII-9G72074TUW
    • (E)-2-Butenal
    • UN 1143
    • AI3-18303
    • RCRA waste no. U053
    • DTXCID404864
    • CHEMBL1086445
    • DTXSID8024864
    • EC 224-030-0
    • 9G72074TUW
    • 6PUW625907
    • Butenal
    • Krotonaldehyd [Czech]
    • trans-Crotonaldehyde; trans-2-Butenal
    • (E)-2-Butenal (~0.1% MEHQ)
    • (Z)-2-Butenal
    • .beta.-Methylacrolein
    • (2Z)-2-Butenal
    • Aldehyde crotonique [French]
    • CCRIS 4501
    • Crotonaldehyde, cis-
    • HSDB 2871
    • EINECS 204-647-1
    • UN1143
    • Crotenaldehyde
    • Krotonaldehyde
    • Topenel
    • Croton aldehyde
    • NSC-56354
    • 3-Methylacrolein
    • UNII-6PUW625907
    • Aldehido crotonico
    • t-2-Butenal
    • nchem.215-comp8
    • (2E)-crotonaldehyde
    • 2-Buten-1-al
    • (2E)-2-Butenal
    • But-(E)-2-enal
    • Crotonaldehyde, stabilized
    • Epitope ID:143635
    • Crotonaldehyde, stabilized [UN1143] [Poison]
    • CROTONALDEHYDE (IARC)
    • (E)-CROTONIC ALDEHYDE
    • GTPL6288
    • CROTONALDEHYDE, (2E)-
    • DTXSID6020351
    • Crotonaldehyde, predominantly trans
    • (E)-.BETA.-METHYLACROLEIN
    • (E)-CROTONALDEHYDE [HSDB]
    • CROTONALDEHYDE E-FORM [MI]
    • STR00019
    • Tox21_200316
    • BBL011428
    • BDBM50318489
    • MFCD00007003
    • STL146535
    • AKOS005720774
    • DB04381
    • 2-BUTENAL (TRANS) CROTONALDEHYDE
    • NCGC00090830-01
    • NCGC00090830-02
    • NCGC00257870-01
    • Crotonaldehyde, predominantly trans, 98%
    • CAS-4170-30-3
    • CS-0015768
    • NS00068728
    • C19377
    • Crotonaldehyde, stabilized [UN1143] [Poison]
    • A805141
    • Q416036
    • 95:5 MIXTURE OF TRANS:CIS CROTONALDEHYDE ISOMERS
    • 224-030-0
    • Crotonaldehyde, predominantly trans, >=99%, contains 0.1-0.2% BHT as stabilizer, 1% H2O as stabilizer

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 239.91
    methanol 259.93
    isopropanol 178.89
    water 4.77
    ethyl acetate 194.52
    n-propanol 186.26
    acetone 327.64
    n-butanol 169.23
    acetonitrile 254.68
    DMF 441.7
    toluene 33.72
    isobutanol 139.6
    1,4-dioxane 286.44
    methyl acetate 233.35
    THF 389.35
    2-butanone 232.19
    n-pentanol 116.78
    sec-butanol 164.7
    n-hexane 37.28
    ethylene glycol 103.2
    NMP 585.72
    cyclohexane 46.33
    DMSO 476.63
    n-butyl acetate 188.05
    n-octanol 108.74
    chloroform 456.66
    n-propyl acetate 137.26
    acetic acid 741.29
    dichloromethane 341.06
    cyclohexanone 350.6
    propylene glycol 121.0
    isopropyl acetate 93.38
    DMAc 241.28
    2-ethoxyethanol 152.54
    isopentanol 128.38
    n-heptane 33.88
    ethyl formate 137.67
    1,2-dichloroethane 203.99
    n-hexanol 169.39
    2-methoxyethanol 268.02
    isobutyl acetate 78.91
    tetrachloromethane 76.7
    n-pentyl acetate 104.86
    transcutol 756.56
    n-heptanol 82.18
    ethylbenzene 33.82
    MIBK 86.08
    2-propoxyethanol 211.59
    tert-butanol 224.75
    MTBE 102.32
    2-butoxyethanol 132.42
    propionic acid 427.25
    o-xylene 36.54
    formic acid 202.43
    diethyl ether 112.02
    m-xylene 32.12
    p-xylene 48.11
    chlorobenzene 126.81
    dimethyl carbonate 69.59
    n-octane 13.23
    formamide 223.47
    cyclopentanone 440.46
    2-pentanone 161.46
    anisole 94.13
    cyclopentyl methyl ether 168.34
    gamma-butyrolactone 565.26
    1-methoxy-2-propanol 211.88
    pyridine 237.92
    3-pentanone 121.99
    furfural 407.52
    n-dodecane 12.65
    diethylene glycol 195.93
    diisopropyl ether 37.3
    tert-amyl alcohol 178.77
    acetylacetone 192.21
    n-hexadecane 13.77
    acetophenone 108.01
    methyl propionate 159.96
    isopentyl acetate 146.43
    trichloroethylene 493.65
    n-nonanol 92.95
    cyclohexanol 185.7
    benzyl alcohol 84.11
    2-ethylhexanol 114.03
    isooctanol 73.47
    dipropyl ether 105.45
    1,2-dichlorobenzene 140.82
    ethyl lactate 87.11
    propylene carbonate 287.85
    n-methylformamide 256.14
    2-pentanol 124.03
    n-pentane 26.57
    1-propoxy-2-propanol 192.15
    1-methoxy-2-propyl acetate 148.89
    2-(2-methoxypropoxy) propanol 190.96
    mesitylene 26.98
    ε-caprolactone 304.7
    p-cymene 43.72
    epichlorohydrin 368.94
    1,1,1-trichloroethane 241.6
    2-aminoethanol 164.97
    morpholine-4-carbaldehyde 384.89
    sulfolane 645.09
    2,2,4-trimethylpentane 16.31
    2-methyltetrahydrofuran 306.77
    n-hexyl acetate 192.58
    isooctane 13.16
    2-(2-butoxyethoxy)ethanol 249.17
    sec-butyl acetate 78.62
    tert-butyl acetate 110.23
    decalin 24.95
    glycerin 169.92
    diglyme 367.67
    acrylic acid 435.75
    isopropyl myristate 73.49
    n-butyric acid 367.61
    acetyl acetate 134.1
    di(2-ethylhexyl) phthalate 79.41
    ethyl propionate 116.53
    nitromethane 726.33
    1,2-diethoxyethane 166.77
    benzonitrile 145.22
    trioctyl phosphate 59.97
    1-bromopropane 121.5
    gamma-valerolactone 423.96
    n-decanol 71.38
    triethyl phosphate 67.28
    4-methyl-2-pentanol 66.22
    propionitrile 171.42
    vinylene carbonate 256.84
    1,1,2-trichlorotrifluoroethane 344.27
    DMS 148.24
    cumene 34.23
    2-octanol 67.26
    2-hexanone 141.59
    octyl acetate 98.21
    limonene 72.07
    1,2-dimethoxyethane 215.77
    ethyl orthosilicate 61.46
    tributyl phosphate 76.67
    diacetone alcohol 174.79
    N,N-dimethylaniline 69.47
    acrylonitrile 248.65
    aniline 97.37
    1,3-propanediol 193.19
    bromobenzene 109.7
    dibromomethane 235.75
    1,1,2,2-tetrachloroethane 388.43
    2-methyl-cyclohexyl acetate 114.71
    tetrabutyl urea 98.09
    diisobutyl methanol 69.54
    2-phenylethanol 112.97
    styrene 46.1
    dioctyl adipate 119.79
    dimethyl sulfate 142.74
    ethyl butyrate 129.59
    methyl lactate 125.7
    butyl lactate 110.27
    diethyl carbonate 98.06
    propanediol butyl ether 174.3
    triethyl orthoformate 91.26
    p-tert-butyltoluene 39.87
    methyl 4-tert-butylbenzoate 128.81
    morpholine 328.46
    tert-butylamine 131.14
    n-dodecanol 57.36
    dimethoxymethane 142.55
    ethylene carbonate 179.06
    cyrene 140.68
    2-ethoxyethyl acetate 132.84
    2-ethylhexyl acetate 112.11
    1,2,4-trichlorobenzene 168.0
    4-methylpyridine 174.1
    dibutyl ether 115.52
    2,6-dimethyl-4-heptanol 69.54
    DEF 195.29
    dimethyl isosorbide 258.04
    tetrachloroethylene 261.35
    eugenol 145.26
    triacetin 184.17
    span 80 196.15
    1,4-butanediol 81.89
    1,1-dichloroethane 227.39
    2-methyl-1-pentanol 102.34
    methyl formate 190.42
    2-methyl-1-butanol 130.77
    n-decane 19.35
    butyronitrile 157.71
    3,7-dimethyl-1-octanol 110.76
    1-chlorooctane 72.26
    1-chlorotetradecane 30.48
    n-nonane 19.56
    undecane 15.42
    tert-butylcyclohexane 24.64
    cyclooctane 13.5
    cyclopentanol 243.43
    tetrahydropyran 261.81
    tert-amyl methyl ether 84.0
    2,5,8-trioxanonane 285.66
    1-hexene 92.31
    2-isopropoxyethanol 107.26
    2,2,2-trifluoroethanol 221.91
    methyl butyrate 162.24

    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
Celery leaf/stem (Libya) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.2%
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.23%
Lemon leaf (petitgrain) (Russia) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.11%
Meyer lemon leaf (Russia) 1 Citrus limon x Citrus sinensis, fam. Rutaceae 0.25%
Bouea macrophylla fruit (Malaysia) Bouea macrophylla Grif. (B. gandaria Blume x Miq., fam. Anacardiaceae 0.01%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 2.05%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.1%
Allium macrochatum (Turkey) Allium macrochaetum Boiss. et Hausskn., fam. Liliaceae 0.01%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.01%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.04%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.04%
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 0.5%