Acrolein

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    107-02-8

    Molecular formula
    C3H4O

    SMILES
    C=CC=O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Pungent 81.05%
    Fruity 68.86%
    Sharp 62.57%
    Spicy 50.46%
    Almond 45.68%
    Ethereal 45.02%
    Alliaceous 44.98%
    Herbal 41.91%
    Cherry 41.17%
    Green 34.87%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.02 [mmHg]. Odor Threshold High: 1.8 [mmHg]. Detection odor threshold from AIHA (mean = 1.8 ppm). Odor threshold = between 0.02 and 0.4
    • Air: 0.16 uL/L; Water: 0.11 mg/L; Odor safety class D; D= 10-50% of attentive persons can detect TLV concn in the air
    • Low= 0.0525 mg/cu m; High= 37.5000 mg/cu m; Irritating concn= 1.25 mg/cu m.

  • Properties

    XLogP3-AA
    0.0

    Molecular weight
    56.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -126 °F (EPA, 1998)
    • -87.8 °C
    • -87.7 °C
    • -88 °C
    • -126 °F

    Boiling point

    • 126 °F at 760 mmHg (EPA, 1998)
    • 52.3 °C
    • BP: 17.5 °C at 200 mm Hg; 2.5 °C at 100 mm Hg; -7.5 °C at 60 mm Hg; -64.5 °C at 1.0 mm Hg
    • 52.00 to 53.00 °C. @ 760.00 mm Hg
    • 53 °C
    • 127 °F

    Flash point est.
    -24.03 ˚C

    Flash point expt.

    • -15 °F (EPA, 1998)
    • -29 °C (-20 °F) - closed cup
    • -15 °F (closed cup); -26 °C (closed cup)
    • <0 °F (open cup); -18 °C (open cup)
    • -26 °C c.c.
    • -15 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
    • In water, 2.11X10+5 mg/L at 20 °C
    • Soluble in ethanol, ether, acetone; slightly soluble in chloroform
    • Soluble in oxygenated solvents
    • Miscible with lower alcohols, ketones, benzene, diethyl ether and other common organic solvents
    • 212 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 20 (freely soluble)
    • 40%

  • Synonyms

    • ACROLEIN
    • Acrylaldehyde
    • 2-Propenal
    • 107-02-8
    • Propenal
    • Acrylic aldehyde
    • prop-2-enal
    • Allyl aldehyde
    • Ethylene aldehyde
    • Aqualin
    • Magnacide H
    • Acraldehyde
    • Slimicide
    • 2-Propen-1-one
    • Aqualine
    • Crolean
    • Prop-2-en-1-al
    • Magnacide
    • Biocide
    • Acrylaldehyd
    • Acroleina
    • Acroleine
    • Akrolein
    • Akroleina
    • Papite
    • Aldeide acrilica
    • Aldehyde acrylique
    • Acraldehydeacroleina
    • NSC 8819
    • Rcra waste number P003
    • Propenaldehyde
    • trans-Acrolein
    • Caswell No. 009
    • Magnacide B
    • Aldehyde, Allyl
    • Aldehyde, Acrylic
    • Aldehyde, Ethylene
    • Magnacide H and B
    • CCRIS 3278
    • HSDB 177
    • Acrolein (stabilized with hydroquinone)
    • UN 1092
    • CHEBI:15368
    • 2-Propenaldehyde
    • EINECS 203-453-4
    • UNII-7864XYD3JJ
    • EPA Pesticide Chemical Code 000701
    • 7864XYD3JJ
    • DTXSID5020023
    • AI3-24160
    • CH2=CHCHO
    • NSC-8819
    • CHEMBL721
    • DTXCID8023
    • EC 203-453-4
    • ACROLEIN (IARC)
    • ACROLEIN [IARC]
    • ACROLEIN (MART.)
    • ACROLEIN [MART.]
    • Akrolein [Czech]
    • Propenal [Czech]
    • Acrolein, analytical standard
    • Akroleina [Polish]
    • Acroleina [Italian]
    • Acrylaldehyd [German]
    • 2 Propenal
    • Acroleine [Dutch, French]
    • Aldeide acrilica [Italian]
    • Propadien-1-ol
    • Aldehyde acrylique [French]
    • Acrolein, inhibited
    • Propenal, inhibited
    • Acraldehydeacroleina [Italian]
    • UN1092
    • RCRA waste no. P003
    • Acrylic aldehyde, inhibited
    • allol
    • Acrylehyde
    • Allylaldehyde
    • Acrehyde
    • Acrylehyd
    • Aerolein
    • Acrolein Monomer
    • 2-propen-1-al
    • prop-2-en-1-one
    • 81788-96-7
    • ACROLEIN [HSDB]
    • ACROLEIN [MI]
    • Epitope ID:143621
    • WLN: VH1U1
    • Acroleine(DUTCH, FRENCH)
    • trans-Acrolein Formylethylene
    • GTPL2418
    • DTXSID50526220
    • NSC8819
    • Acrolein 5000 microg/mL in Water
    • BCP07056
    • STR00291
    • Acrolein 100 microg/mL in Acetone
    • Tox21_200984
    • BDBM50010912
    • Acrolein 1000 microg/mL in Methanol
    • Acrolein 5000 microg/mL in Methanol
    • AKOS000120766
    • Acrolein, 96%, stab with hydroquinone
    • MSK001672-1000A
    • NCGC00091484-01
    • NCGC00091484-02
    • NCGC00258537-01
    • BP-14004
    • CAS-107-02-8
    • Acrolein, inhibited [UN1092] [Poison]
    • DB-026460
    • A0137
    • NS00009782
    • Acrolein Solution in Acetonitrile, 1000ug/mL
    • C01471
    • InChI=1/C3H4O/c1-2-3-4/h2-3H,1H
    • A801558
    • Q342790
    • Acrolein, contains hydroquinone as stabilizer, 90%
    • Acrolein Solution, 5000 microg/mL in Methanol, Second Source
    • Acrolein, stabilized with 3 wt% water, 1000ppm hydroquinone, stored over Copper
    • 203-453-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 374.34
    methanol 625.93
    isopropanol 190.64
    water 30.47
    ethyl acetate 195.92
    n-propanol 213.34
    acetone 341.57
    n-butanol 204.54
    acetonitrile 371.18
    DMF 446.24
    toluene 56.18
    isobutanol 150.6
    1,4-dioxane 211.19
    methyl acetate 270.2
    THF 216.9
    2-butanone 250.31
    n-pentanol 163.84
    sec-butanol 172.3
    n-hexane 37.18
    ethylene glycol 133.15
    NMP 376.64
    cyclohexane 29.13
    DMSO 430.93
    n-butyl acetate 268.39
    n-octanol 125.04
    chloroform 307.17
    n-propyl acetate 213.99
    acetic acid 700.91
    dichloromethane 366.98
    cyclohexanone 239.04
    propylene glycol 103.23
    isopropyl acetate 102.73
    DMAc 355.88
    2-ethoxyethanol 259.36
    isopentanol 174.52
    n-heptane 34.56
    ethyl formate 214.0
    1,2-dichloroethane 208.22
    n-hexanol 166.06
    2-methoxyethanol 363.46
    isobutyl acetate 121.46
    tetrachloromethane 64.18
    n-pentyl acetate 139.54
    transcutol 1090.07
    n-heptanol 86.22
    ethylbenzene 61.94
    MIBK 101.1
    2-propoxyethanol 240.76
    tert-butanol 200.74
    MTBE 138.62
    2-butoxyethanol 163.82
    propionic acid 329.23
    o-xylene 61.76
    formic acid 346.5
    diethyl ether 138.59
    m-xylene 45.57
    p-xylene 88.95
    chlorobenzene 116.74
    dimethyl carbonate 76.48
    n-octane 16.43
    formamide 393.62
    cyclopentanone 263.33
    2-pentanone 170.7
    anisole 148.67
    cyclopentyl methyl ether 113.34
    gamma-butyrolactone 363.32
    1-methoxy-2-propanol 210.21
    pyridine 249.41
    3-pentanone 128.9
    furfural 399.02
    n-dodecane 14.6
    diethylene glycol 226.51
    diisopropyl ether 47.41
    tert-amyl alcohol 191.21
    acetylacetone 182.23
    n-hexadecane 15.29
    acetophenone 192.17
    methyl propionate 157.96
    isopentyl acetate 208.64
    trichloroethylene 403.54
    n-nonanol 98.84
    cyclohexanol 134.79
    benzyl alcohol 141.24
    2-ethylhexanol 125.0
    isooctanol 75.45
    dipropyl ether 122.77
    1,2-dichlorobenzene 127.63
    ethyl lactate 110.07
    propylene carbonate 207.08
    n-methylformamide 329.87
    2-pentanol 133.78
    n-pentane 30.89
    1-propoxy-2-propanol 202.19
    1-methoxy-2-propyl acetate 158.32
    2-(2-methoxypropoxy) propanol 215.36
    mesitylene 34.32
    ε-caprolactone 246.49
    p-cymene 61.58
    epichlorohydrin 285.45
    1,1,1-trichloroethane 155.8
    2-aminoethanol 190.46
    morpholine-4-carbaldehyde 371.62
    sulfolane 340.69
    2,2,4-trimethylpentane 21.21
    2-methyltetrahydrofuran 206.84
    n-hexyl acetate 199.93
    isooctane 14.57
    2-(2-butoxyethoxy)ethanol 290.74
    sec-butyl acetate 120.29
    tert-butyl acetate 102.6
    decalin 23.44
    glycerin 158.24
    diglyme 497.33
    acrylic acid 357.24
    isopropyl myristate 77.74
    n-butyric acid 321.0
    acetyl acetate 138.04
    di(2-ethylhexyl) phthalate 87.56
    ethyl propionate 148.44
    nitromethane 801.19
    1,2-diethoxyethane 286.27
    benzonitrile 200.63
    trioctyl phosphate 64.77
    1-bromopropane 128.0
    gamma-valerolactone 329.17
    n-decanol 75.72
    triethyl phosphate 83.01
    4-methyl-2-pentanol 81.31
    propionitrile 214.04
    vinylene carbonate 237.51
    1,1,2-trichlorotrifluoroethane 290.82
    DMS 164.55
    cumene 54.54
    2-octanol 71.2
    2-hexanone 204.95
    octyl acetate 101.22
    limonene 83.5
    1,2-dimethoxyethane 382.36
    ethyl orthosilicate 78.98
    tributyl phosphate 94.88
    diacetone alcohol 146.87
    N,N-dimethylaniline 118.89
    acrylonitrile 306.6
    aniline 111.87
    1,3-propanediol 234.15
    bromobenzene 99.19
    dibromomethane 233.3
    1,1,2,2-tetrachloroethane 253.22
    2-methyl-cyclohexyl acetate 140.04
    tetrabutyl urea 120.59
    diisobutyl methanol 73.25
    2-phenylethanol 133.34
    styrene 86.43
    dioctyl adipate 130.22
    dimethyl sulfate 117.11
    ethyl butyrate 192.59
    methyl lactate 110.09
    butyl lactate 138.39
    diethyl carbonate 139.75
    propanediol butyl ether 212.83
    triethyl orthoformate 118.5
    p-tert-butyltoluene 49.99
    methyl 4-tert-butylbenzoate 147.41
    morpholine 247.15
    tert-butylamine 134.28
    n-dodecanol 60.06
    dimethoxymethane 172.22
    ethylene carbonate 163.5
    cyrene 146.11
    2-ethoxyethyl acetate 189.98
    2-ethylhexyl acetate 164.25
    1,2,4-trichlorobenzene 155.7
    4-methylpyridine 229.82
    dibutyl ether 143.1
    2,6-dimethyl-4-heptanol 73.25
    DEF 252.81
    dimethyl isosorbide 256.61
    tetrachloroethylene 226.77
    eugenol 176.93
    triacetin 222.96
    span 80 185.67
    1,4-butanediol 130.94
    1,1-dichloroethane 179.12
    2-methyl-1-pentanol 163.03
    methyl formate 266.88
    2-methyl-1-butanol 166.48
    n-decane 21.86
    butyronitrile 213.2
    3,7-dimethyl-1-octanol 123.85
    1-chlorooctane 69.23
    1-chlorotetradecane 30.46
    n-nonane 22.52
    undecane 17.28
    tert-butylcyclohexane 25.27
    cyclooctane 12.58
    cyclopentanol 139.56
    tetrahydropyran 169.28
    tert-amyl methyl ether 118.56
    2,5,8-trioxanonane 346.07
    1-hexene 104.8
    2-isopropoxyethanol 175.37
    2,2,2-trifluoroethanol 221.27
    methyl butyrate 233.93

    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
Allium macrochatum (Turkey) Allium macrochaetum Boiss. et Hausskn., fam. Liliaceae 0.03%