Crotonaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    4170-30-3

    Molecular formula
    C4H6O

    SMILES
    C/C=C/C=O
    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 Well soluble in MMB, TEC, IAA

    Molecular weight
    70.09 g/mol

    Vapor pressure est.

    • 35.4281 hPa @ 20°C
    • 46.1454 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 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
NaN -Infinity

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%