Methyl 3-phenylpropionate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    103-25-3

    Molecular formula
    C10H12O2

    SMILES
    COC(=O)CCC1=CC=CC=C1
    OO

    Retention indicies (RI)

    • Carbowax: 1842.0

  • Odor profile

    fruity 93.88%
    sweet 86.81%
    floral 86.08%
    balsamic 64.15%
    honey 61.36%
    rose 58.93%
    spicy 51.62%
    tropical 41.51%
    apricot 41.2%
    pineapple 39.31%

    Scent© AI

  • Properties

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

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • 0.0347 hPa @ 20°C
    • 0.0551 hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 91.00 to 92.00 °C. @ 4.00 mm Hg

    Solubility expt.

    • insoluble in water
    • miscible (in ethanol)

  • Synonyms

    • Methyl 3-phenylpropionate
    • 103-25-3
    • Methyl 3-phenylpropanoate
    • Methyl hydrocinnamate
    • Benzenepropanoic acid, methyl ester
    • 3-Phenylpropionic Acid Methyl Ester
    • Methyl benzenepropanoate
    • Hydrocinnamic acid, methyl ester
    • 3-Phenylpropanoic acid methyl ester
    • Methyl dihydrocinnamate
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
Hyssop (Himalaya) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.08%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Lycaste aromatica flower headspace Lycaste aromatica Lindl., fam Orchidaceae 1.3%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 0.05%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.02%
Nepeta crassifolia Nepeta crassifolia Boiss. & Buhse, fam. Lamiaceae (Labiatae) 0.3%
Soursop, fruit Annona muricata L., fam. Annonaceae 0.2%
Nepeta argolica (Greece) 2 Nepeta argolica Bory et Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 0.1%