Ethyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    539-82-2

    Molecular formula
    C7H14O2

    SMILES
    CCCCC(=O)OCC
    OO

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 903.0
    • Carbowax: 1130.6

  • Odor profile

    fruity 97.81%
    pineapple 77.51%
    apple 71.82%
    sweet 71.68%
    banana 60.72%
    ethereal 60.02%
    green 57.8%
    tropical 54.36%
    ripe 48.46%
    winey 46.76%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9 Well soluble in IAA, DEP, MMB

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • 4.8145 hPa @ 20°C
    • 6.7055 hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -91.2 °C

    Boiling point

    • 144.00 to 145.00 °C. @ 760.00 mm Hg

    Solubility expt.

    • 2.21 mg/mL at 25 °C
    • Slightly soluble in ethanol, insoluble in water

  • Synonyms

    • ETHYL VALERATE
    • Ethyl pentanoate
    • 539-82-2
    • Pentanoic acid, ethyl ester
    • Ethyl n-valerate
    • Valeric acid, ethyl ester
    • Ethylvalerate
    • Ethyl valerianate
    • Pentanoic acid ethyl ester
    • FEMA No. 2462
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
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 1.38%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Tagetes (Rwanda) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.1%
Tagetes (France) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.1%
Tagetes (Cameroon) 1a leaf 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%
Tagetes (Cameroon) 1b flower 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%