Anethole

  • Identifiers

    CAS mumber
    104-46-1

    Molecular formula
    C10H12O

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

    Retention indicies (RI)

    • DB5: 1293.0
    • Carbowax: 1817.67

  • Properties

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

    Molecular weight
    148.2 g/mol

    Melting points

    • 70.4 °F (NTP, 1992)
    • 21.3 °C
    • Liquid Molar Volume = 0.1507 cu m/kmol; Heat of Fusion @ Melting Point = 1.60E+7 J/kmol

    Boiling points

    • 454.1 °F at 760 mmHg (NTP, 1992)
    • 234 °C

    Flash points

    • 195 °F (NTP, 1992)
    • 90.1 °C

    Solubilities

    • Slightly soluble (NTP, 1992)
    • 1:8 IN 80% ALCOHOL; 1:1 IN 90% ETHANOL
    • ALMOST WATER INSOL; MISCIBLE WITH CHLOROFORM & ETHER
    • Water solubility = 1.110E-1 g/l @ 25 °C
    • Slightly soluble in water; miscible with chloroform and ether
    • 1 ml in 2 ml 96% alcohol (in ethanol)

  • Synonyms

    • ANETHOLE
    • trans-Anethole
    • 4180-23-8
    • (E)-Anethole
    • p-Propenylanisole
    • 104-46-1
    • Isoestragole
    • Anise camphor
    • Monasirup
    • Anethol
    • (E)-1-Methoxy-4-(prop-1-en-1-yl)benzene
    • 4-Propenylanisole
    • cis-Anethol
    • trans-p-Propenylanisole
    • (E)-p-Propenylanisole
    • p-Anethole
    • Anethole, trans
    • Anisole, p-propenyl-
    • Aniskampfer
    • (E)-Anethol
    • trans-Anethol
    • 1-Methoxy-4-(prop-1-en-1-yl)benzene
    • 1-methoxy-4-[(E)-prop-1-enyl]benzene
    • Anethole, trans-
    • trans-1-p-Anisylpropene
    • p-1-Propenylanisole
    • trans-p-Anethole
    • 1-Methoxy-4-propenylbenzene
    • (E)-1-(4-Methoxyphenyl)propene
    • 4-Methoxypropenylbenzene
    • trans-4-(1-Propenyl)anisole
    • FEMA No. 2086
    • 1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene
    • Benzene, 1-methoxy-4-(1-propenyl)-
    • trans-p-Methoxy-beta-methylstyrene
    • (E)-1-Methoxy-4-(1-propenyl)benzene
    • 4-Methoxy-1-propenylbenzene
    • 1-Methoxy-4-(1-propenyl)benzene
    • p-Propenylphenyl methyl ether
    • Acintene O
    • trans-Anethole (natural)
    • Propene, 1-(p-methoxyphenyl)-
    • Anethole (natural)
    • Anethol (synthetic)
    • 1-Propene, 1-(4-methoxyphenyl)-
    • Propenylanisole, p-, (E)-
    • (E)-1-p-Methoxyphenylpropene
    • Anisole, p-propenyl-, trans-
    • Caswell No. 051B
    • p-Propenylmethoxybenzene
    • CCRIS 2481
    • Anisole, p-propenyl-, (E)-
    • Benzene, 1-methoxy-4-(1-propenyl)-, (E)-
    • t-anethole
    • FEMA Number 2086
    • 1-p-Methoxyphenylpropene, trans-
    • Q3JEK5DO4K
    • 1-Methoxy-4-(1E)-1-propen-1-ylbenzene
    • Benzene, 1-methoxy-4-(1E)-1-propenyl-
    • NSC 4018
    • EINECS 224-052-0
    • p-Methoxy-beta-methylstyrene
    • Methoxy-beta-methylstyrene, trans-p-
    • MFCD00009284
    • Anethole (NF)
    • Anethole [NF]
    • trans-1-(p-Methoxyphenyl)-1-propene
    • trans-1-(4-Methoxyphenyl)-1-propene
    • NSC 209529
    • NSC-209529
    • BRN 0636190
    • trans-1-Methoxy-4-(1-propenyl)benzene
    • CCRIS 6211
    • 1-Methoxy-4-((1E)-1-propenyl)benzene
    • DTXSID9020087
    • CHEBI:35616
    • 1-Methoxy-4-(1-propenyl)benzene, (E)-
    • Benzene, 1-methoxy-4-(1-propen-1-yl)-
    • HSDB 1427
    • ANETHOLE [FCC]
    • ANETHOLE [II]
    • ANETHOLE [MI]
    • ANETHOLE [VANDF]
    • Benzene, 1-methoxy-4-(propenyl)-
    • EINECS 203-205-5
    • EINECS 256-753-2
    • 1-(4-Methoxyphenyl)-1(3)-propene
    • ANETHOLE [USP-RS]
    • ANETHOLE [WHO-DD]
    • ANETHOLE, (E)-
    • EPA Pesticide Chemical Code 015604
    • 1-(p-Methoxyphenyl)propene
    • BRN 0774229
    • DTXCID0086
    • DTXCID2087
    • Benzene, 1-methoxy-4-(propen-1-yl)-
    • TRANS-ANETHOLE [FHFI]
    • AI3-00380
    • CHEBI:2716
    • p-Methoxy-.beta.-methylstyrene
    • 50770-19-9
    • DTXSID4020086
    • Trans-Anethole ((E)-Anethole)
    • NSC4018
    • EC 224-052-0
    • 2-06-00-00523 (Beilstein Handbook Reference)
    • NSC-4018
    • methyl 4-(prop-1-en-1-yl)phenyl ether
    • ANETHOLE (II)
    • Methoxy-4-propenylbenzene
    • ANETHOLE (USP-RS)
    • Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-
    • (E)-ANETHOLE (CONSTITUENT OF MYRRH) [DSC]
    • E-anethole
    • 1-methoxy-4-((E)-prop-1-enyl)benzene
    • p-(1-Propenyl)anisole
    • CAS-104-46-1
    • 4-(1-propenyl)anisole
    • CAS-4180-23-8
    • 1-methoxy-4-((1E)-prop-1-en-1-yl)benzene
    • SR-05000001866
    • 1-(methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene
    • 4-06-00-03796 (Beilstein Handbook Reference)
    • UNII-Q3JEK5DO4K
    • 1-(4-methoxyphenyl)propene
    • trans-1-(p-Methoxyphenyl)propene
    • UNII-A79C64YD3Q
    • pAnethole
1 3

Botanical

Name CAS Botanical Proportion
Lemon balm (Finland) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 4.8%
Lemon balm (Germany) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 6.1%
Lemon balm (Spain) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Basil (Finland) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.1%
Ginger (Australia) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.08%
Dracocephalum kotschyi Dracocephalum kotschyi Boiss., fam. Lamiaceae (Labiatae) 0.2%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Sassafras 1 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 0.1%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.47%
Orange leaf, sweet (Israel) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.07%
Orange leaf, sweet (Israel) 1 Citrus sinensis (L.) Osbeck, cultivar Jaffa (Shamouti), fam. Rutaceae 0.05%
Orange leaf, sweet (Israel) 2 Citrus sinensis (L.) Osbeck, cultivar Ruby (Blood orange), fam. Rutaceae 0.12%
Melaleuca bracteata leaf (Egypt) Melaleuca bracteata F. Muell., fam. Myrtaceae 0.1%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.03%
Mandarin leaf (Petitgrain mandarin.) (Israel) 3 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.02%
Mandarin leaf (Petitgrain mandarin.) (Israel) 4 Citrus reticulata Blanco, cultivar Maya, fam. Rutaceae 0.01%
Mandarin leaf (Petitgrain mandarin.) (Israel) 5 Citrus reticulata Blanco, cultivar Clementine, Rutaceae 0.02%
Mandarin leaf (Petitgrain mandarin.) (Israel) 6 Citrus reticulata Blanco, cultivar Michal, fam. Rutaceae 0.01%
Mandarin leaf (Petitgrain mandarin.) (Israel) 7 Citrus reticulata Blanco, cultivar Nectarine, fam. Rutaceae 0.03%
Coriander fruit (Japan) 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Basil (Israel) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.02%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.06%
Clove leaf (Indonesia) 1 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.05%
Basil (India) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.1%
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.24%
Fennel, bitter (China) 1 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 76.04%
Fennel, bitter (China) 2 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 85.13%
Star anise (China) 6 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 91.28%
Cinnamomum micranthum (China) Cinnamomum mecranthum (Hayata) Hayata, fam. Lauraceae 0.1%
Acronychia pedunculata (China) Acronychia pedunculata (L.) Miq., fam. Rutaceae 0.27%
Clausena dunniana (China) 1 Clausena dunniana Levl., fam. Rutaceae 1.59%
Kaempferia galanga rhizome (China) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 2.61%
Aerangis brachycarpa flower headspace Aerangis brachycarpa Rchb. f., fam. Orchidaceae 6.6%
Pittosporum tobira flower (China) Pittosporum tobira Ait., fam. Pittosporaceae 0.14%
Celery seed (Egypt) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.61%
Ylang Ylang (Colombia) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.5%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.02%
Heterotheca inuloides leaf (Mexico) Heterotheca inuloides Cass., fam. Asteraceae (Compositae) 0.12%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.3%
Basil (Denmark) Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.15%
Dill seed (China) 8006-75-5 Anethum graveolens L., fam. Apiaceae (Umbelliferae) 0.1%
Coriander fruit 8 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.7%
Coriander fruit (Greece) 1a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.4%
Coriander fruit (Greece) 1b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.4%
Origanum majorana var. tenuifolium Origanum majorana L. var. tenuifolium, fam. Lamiaceae (Labiatae) 0.3%
Oregano, turkish (Greece) Origanum onites L., fam. Lamiaceae (Labiatae) 0.1%
Origanum dubium (Cyprus) Origanum dubium Boiss., fam. Lamiaceae (Labiatae) 0.05%