4-Pentenoic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    591-80-0

    Molecular formula
    C5H8O2

    SMILES
    C=CCCC(=O)O
    HOOC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    cheesy 65.08%
    fruity 58.32%
    sour 52.54%
    pungent 40.71%
    caramellic 38.61%
    sharp 37.81%
    buttery 34.16%
    dairy 32.18%
    sweaty 29.14%
    green 27.75%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8 Well soluble in MMB, TEC, IAA

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • 0.1561 hPa @ 20°C
    • 0.2449 hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    188°C

    Melting point expt.

    • -22.5 °C

    Solubility expt.

    • slightly soluble in water; soluble in alcohol and ether

  • Synonyms

    • 4-PENTENOIC ACID
    • Pent-4-enoic acid
    • 591-80-0
    • Allylacetic acid
    • Allyl acetic acid
    • 3-Vinylpropionic acid
    • 4 PA
    • delta 4-Pentenoic acid
    • FEMA No. 2843
    • Allylessigsaeure
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