Isoeugenol

  • Identifiers

    CAS mumber
    97-54-1

    Molecular formula
    C10H12O2

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

    Retention indicies (RI)

    • DB5: 1460.0
    • Carbowax: 2293.0

  • Properties

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

    Molecular weight
    164.2 g/mol

    Melting points

    • 14 °F (NTP, 1992)
    • -10 °C
    • -10 °C

    Boiling points

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

    Flash points

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

    Solubilities

    • 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
    • trans-p-Propenylquaiacol
    • 4-Hydroxy-3-methoxypropenylbenzene
    • 2-METHOXY-4-(1-PROPENYL)PHENOL
    • Phenol, 2-methoxy-4-propenyl-
    • Phenol, 2-methoxy-4-(1-propenyl)-
    • 1-Hydroxy-2-methoxy-4-propenylbenzene
    • trans-2-Methoxy-4-propenylphenol
    • 2-methoxy-4-[(E)-prop-1-enyl]phenol
    • (E)-2-Methoxy-4-(prop-1-enyl)phenol
    • Propenylguaiacol
    • Isoeugenol (I)
    • 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol
    • 1-Hydroxy-2-methoxy-4-propen-1-ylbenzene
    • Propenylgualacol
    • Iso-eugenol
    • NCI-C60979
    • 3-Methoxy-4-hydroxypropenylbenzene
    • 3-Methoxy-4-hydroxy-1-propen-1-ylbenzene
    • NSC 6769
    • (E)-2-Methoxy-4-(prop-1-en-1-yl)phenol
    • Phenol, 2-methoxy-4-propenyl-, (E)-
    • Isoeugenol and isomers
    • CHEBI:50545
    • 1-(3-Methoxy-4-hydroxyphenyl)-1-propene
    • 4-Hydroxy-3-methoxy-1-propen-1-ylbenzene
    • Phenol, 2-methoxy-4-(1-propenyl)-, (E)-
    • trans-4-Propenylgualacol
    • 28FSR1NAY4
    • CHEMBL193598
    • Isoeugenol,c&t
    • NSC-209522
    • 2-Methoxy-4-[(1E)-1-propenyl]phenol
    • NCGC00091470-02
    • Phenol, 2-methoxy-4-(1-propen-1-yl)-
    • Isoeugenol,predominantly trans
    • DTXCID502413
    • 2-Methoxy-4-[1-propenyl]phenol
    • UIL135434
    • 3-Methoxy-4-hydroxy-1-propenylbenzene
    • CAS-97-54-1
    • CCRIS 744
    • FEMA No. 2468
    • 2-methoxy-4-propenyl-Phenol
    • EINECS 202-590-7
    • EINECS 227-678-2
    • UNII-28FSR1NAY4
    • DTXSID7022413
    • NSC 209522
    • BRN 1909602
    • BRN 2046156
    • isougenol
    • UNII-5M0MWY797U
    • isoeugenol fcc
    • isoeugenol tech
    • e-isoeugenol
    • 1-(3-Methoxy-4-hydroxyphenyl)-1-propane
    • Iso eugenol
    • AI3-15356
    • Isoeugenol E
    • Isoeugenol Z
    • HSDB 8044
    • iso-Eugenol 2
    • isoeugenol 916
    • MFCD00009285
    • CHISOEUG
    • iso eugenol 88%+
    • Isoeugenol (Standard)
    • isoeugenol extra nat us
    • Phenol, (E)-
    • Phenol, 2-methoxy-4-(1E)-1-propenyl-
    • ISOEUGENOL, E-
    • Isoeugenol, cis + trans
    • ISOEUGENOL, TRANS-
    • bmse010052
    • ISOEUGENOL, (E)-
    • IE TRANS 92
    • SCHEMBL57986
    • 3-06-00-04993 (Beilstein Handbook Reference)
    • MLS001065576
    • BIDD:ER0697
    • WLN: 2U1R DQ CO1
    • Isoeugenol, analytical standard
    • Isoeugenol, predominantly trans
    • 5M0MWY797U
    • (E)-4-PROPENYLGUAIACOL
    • HY-N1952R
    • Isoeugenol, natural, 99%, FG
    • DTXSID50872350
    • NSC6769
    • HMS2268O09
    • WLN: 2U1R DQ CO1 -E
    • (E)-2-methoxy-4-propenyl-Phenol
    • 2-methoxy-4-(1-propenyl)-Phenol
    • ISOEUGENOL TRANS-FORM [MI]
    • HY-N1952
    • NSC-6769
    • Tox21_111138
    • Tox21_202433
    • Tox21_300303
    • BDBM50548724
    • NSC209522
    • s5757
    • STL264281
    • AKOS000120575
    • Tox21_111138_1
    • DB14188
    • trans-2-methoxy-4-(1-propenyl)phenol
    • (E)-2-methoxy-4-(1-propenyl)-Phenol
    • 2-Methoxy-4-propenylphenol (isoeugenol)
    • NCGC00091470-01
    • NCGC00091470-03
    • NCGC00091470-04
    • NCGC00091470-05
    • NCGC00254142-01
    • NCGC00259982-01
    • (E)-2-methoxy-4- (1-propenyl)-Phenol
    • AC-34996
    • AS-61702
1 3

Botanical

Name CAS Botanical Proportion
Basil (India), herb 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 3.38%
Basil (India), flower 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.24%
Cassia, branch & leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 1.83%
Mace 1 8007-12-3 Myristica fragrans Houtt., fam. Myristicaceae 0.1%
Nutmeg (Sri Lanka) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.05%
Nutmeg 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.2%
Ocimum canum (camphor-type) 2 Ocimum canum Sims., fam. Lamiaceae (Labiatae) 9.19%
Ocimum canum (camphor-type) 1 Ocimum canum Sims., fam. Lamiaceae (Labiatae) 1.87%
Ocimum micranthum (Brazil) Ocimum micranthum (common name: Alfavaca de campo), fam. Lamiaceae (Lab.) 15.93%
Annual wormwood, leaf (U.S.A., Indiana) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.04%
Annual wormwood, leaf (U.S.A., Indiana) 2 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.11%
Annual wormwood, flower (U.S.A., Indiana) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.03%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.7%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.6%
Nutmeg 4 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.27%
Nutmeg (Indonesia) 3 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.1%
Nutmeg 2 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.04%
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Turkey) 1 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 2.04%
Basil (India) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.24%
Clove stem (Madagascar) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.17%
Clove bud (Madagascar) 1 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.19%
Cinnamon leaf (Sri Lanka) 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 1.1%
Betel leaf Kapoori (India) 2 Piper betle L. var. Kapoori, fam. Piperaceae 10.59%
Betel leaf Bangla (India) Piper betle L. var. Bangla, fam. Piperaceae 5.2%
Ylang Ylang 2a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.2%
Ylang Ylang 5a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.5%
Ylang Ylang 5b 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonacaea 0.5%
Ylang Ylang 5c 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.29%
Ylang Ylang 5d 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.36%
Bay, West Indian (Benin) 8015-73-4 Pimenta racemosa var. racemosa (P. Miller) J.W. Moore, fam. Myrtaceae 0.3%
Sudachi peel (Japan) Citrus sudachi Hort. ex Shirai, fam. Rutaceae 0.01%
Mochiyuzu peel (Japan) Citrus inflata Hort. ex Tanaka, fam. Rutaceae 0.01%
Clove bud 4 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.9%
Clove bud 5 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.6%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.01%
Canella winterana (Cuba) 2 Canella winterana (L.) Gaertn., fam. Canellaceae 0.1%
Nutmeg 7 8008-45-5 Myristica fragrans Houtt., fam. Myrsticaceae 4.5%
Nutmeg 5a 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.05%
Nutmeg 5b 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.06%
Tejpat leaf (cinnamaldehyde-type) 2 Cinnamomum tamala (Ham.) Nees et Eberm., fam. Lauraceae 4.9%
Yuzu (Japana) 6 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.27%