Hexyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1117-59-5

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCOC(=O)CCCC
    OO

    Retention indicies (RI)

    • Carbowax: 1498.0

  • Odor profile

    fruity 96.34%
    green 84.76%
    apple 70.0%
    sweet 62.79%
    winey 58.24%
    pineapple 54.26%
    banana 52.9%
    tropical 49.6%
    waxy 49.26%
    oily 47.43%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8 Well soluble in BB, DEP, IAA

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • 0.0586 hPa @ 20°C
    • 0.0933 hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

  • Synonyms

    • Hexyl valerate
    • Hexyl pentanoate
    • Hexyl n-valerate
    • 1117-59-5
    • Hexyl valerianate
    • Pentanoic acid, hexyl ester
    • 1-Hexyl n-valerate
    • Valeric acid, hexyl ester
    • n-Hexyl valerate
    • 1-hexyl pentanoate
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
Mentha spicata (Greece) Chemotype IV Mentha spicata L. (Chemotype IV), fam Lamiaceae (Labiatae) 4.25%
Mentha rotundifolia (Greece) 2 Mentha rotundifolia (L.) Hudson (Chemotype II), fam. Lamiaceae (Labiatae) 1.89%
Pennyroyal 1 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.25%
Pennyroyal 2 8013-99-8 Mentha pulegium L. (C.R. variety), fam. Lamiaceae (Labiatae) 1.43%
Peppermint (USA) 3 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 2.4%
Peppermint (Greece) 1 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 4.0%
Spike lavender (Spain) 5 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.19%