Isoeugenol

  • Identifiers

    CAS number
    5932-68-3

    Molecular formula
    C10H12O2

    SMILES
    C/C=C/C1=CC(=C(C=C1)O)OC
    HOO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1460.0
    • Carbowax: 2286.5

  • Odor profile

    spicy 89.07%
    sweet 88.81%
    clove 70.08%
    phenolic 65.95%
    woody 62.89%
    vanilla 59.18%
    floral 56.07%
    smoky 55.33%
    balsamic 52.46%
    powdery 46.24%

    Scent© AI

  • Properties

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

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • 0.0039 hPa @ 20°C
    • 0.0067 hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Melting point expt.

    • 14 °F (NTP, 1992)
    • -10 °C

    Boiling point expt.

    • 511 °F at 760 mmHg (NTP, 1992)
    • 266 °C
    • 125.00 to 126.00 °C. @ 14.00 mm Hg

    Flash point expt.

    • 235 °F (NTP, 1992)
    • 235 °F
    • >212 °F(>100 °C)(closed cup)

    Solubility expt.

    • Slightly soluble (NTP, 1992)
    • In water, 810 mg/L at 25 °C
    • Miscible with alcohol and ether
    • Soluble in alcohol, ether and other organic solvents
    • Soluble in most fixed oils
    • soluble (in ethanol)

  • Synonyms

    • Isoeugenol
    • 97-54-1
    • (E)-Isoeugenol
    • trans-Isoeugenol
    • 2-Methoxy-4-propenylphenol
    • 4-Propenylguaiacol
    • 2-methoxy-4-(prop-1-en-1-yl)phenol
    • 5932-68-3
    • 4-Hydroxy-3-methoxy-1-propenylbenzene
    • Isoeugenol trans-form
NaN -Infinity
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IFRA Standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.019 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.22 %
Category 2
Products applied to the axillae
 0.0057 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.22 %
Category 3
Products applied to the face/body using fingertips
 0.12 % Category 8
Products with significant anogenital exposure
 0.009 %
Category 4
Products related to fine fragrance
 0.11 % Category 9
Products with body and hand exposure, primarily rinse off
 0.21 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.027 % Category 10A
Household care products with mostly hand contact
 0.21 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.027 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.75 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.027 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.009 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.009 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.009 %
Category 6
Products with oral and lip exposure
 0.063 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Wistaria sinensis headspace Wistaria sinensis DC., fam. Leguminosae (Papilionaceae) 1.0%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 1.63%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.02%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 1.63%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.05%
Aerangis brachycarpa flower headspace Aerangis brachycarpa Rchb. f., fam. Orchidaceae 0.05%
Jasmine (China) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 28.94%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.48%
Ylang Ylang (China) 4 68606-83-7 Cananga odorata (Lamk.) Hook. f. et Thomson, fam. Annonaceae 1.54%
Jasmine (China) 2b (absolute) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.02%
Nutmeg (India) 5a leaf 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.2%
Nutmeg (India) 5b flower 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.56%
Nutmeg (India) 6 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.05%
Lemongrass (Bangladesh) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.3%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 0.1%
Acinos alpinus oil (Greece) Acinos alpinus (L.) Moench., fam. Lamiaceae (Labiatae) 0.2%
Nutmeg (West Indies) 4 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.01%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.2%
Thymus x oblongifolius (Lithuania) Thymus x oblongifolius Opiz, fam. Lamiaceae (Labiatae) 0.2%