Grundinformationen
- CAS
17957-94-7- Standard-SMILES
Cc1coc2c1CCC(C)C2- InChIKey
YGWKXXYGDYYFJU-UHFFFAOYSA-N- Summenformel
- C10H14O
- Durchschnittliche Molmasse
- 150,22 g/mol
- Monoisotopische Masse
- 150,10446507
Überblick
Menthofuran is a monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6. It has a role as a nematicide and a plant metabolite. It is a monoterpenoid and a member of 1-benzofurans.
Namen und Bezeichner
- Bevorzugter Name
- Menthofuran
- IUPAC
- 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran
- Lokaler Name
- 4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran
- Englischer Name
- Menthofuran
- Summenformel
- C10H14O
- Molmasse
- 150.22
Namen und Synonyme
Menthofuran494-90-63,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran3,9-Epoxy-p-mentha-3,8-dieneBENZOFURAN, 4,5,6,7-TETRAHYDRO-3,6-DIMETHYL-p-Mentha-3,8-diene, 3,9-epoxy-DTXSID9025534FEMA No. 32354,5,6,7-Tetrahydro-3,6-dimethylcoumaroneLK024V9U3CDTXCID005534CHEBI:50542
Weitere Namen anzeigen
FEMA 3235MENTHOFURAMENTHOFURAN(SG)Menthofuran,95%UNII:LK024V9U3CMENTHOFURAN WITH GC
RefChem:156491Menthofurane3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran4,5,6,7-Tetrahydro-3,6-dimethylbenzofuranMFCD00041851NSC-3152494,5,6,7-TETRAHYDRO-3,6-DIMETHYL-BENZOFURAN(S)-3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran
Datenbank-Bezeichner
- CAS
17957-94-7、494-90-6- PubChem CID
- 329983
- DTXSID
DTXSID9025534
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 13,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 144
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.960-0.970
Solubility
insoluble in water; soluble in oils
miscible (in ethanol)
Boiling Point
80.00 to 82.00 °C. @ 13.00 mm Hg
196 °C; 95 °C (20 mm Hg); 80 °C (18 mm Hg); 90-92 °C (3 mm Hg)
Melting Point86.00 °C. @ 760.00 mm Hg
Refractive Index1.481-1.486
Physical DescriptionBluish liquid, odour similar to that of menthol
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1646) of reports.
Warning
H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1646 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Gefahrenhinweise
Regulatory Information
Chemical: Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-
Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pulegone and related substances: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (> 99.9%)
Acute toxicity (ingestion) - category 3
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29329990
- RTECS-Nr.
- DF7995750
- safety_code
- 24/25
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationBenzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-: ACTIVE
Anwendungen
OccurrenceReported found in peppermint oil, corn mint oil, spearmint oil, Scotch spearmint oil, pennyroyal oil and other Mentha oils and buchu oil.
Darstellung
synthetische(+)-Menthofuran [17957-94-7] is isolated fromMentha oils or is prepared synthetically, for example, by treatment of (+)-pulegone with fuming sulfuric acid in acetic anhydride and pyrolysis of the resulting sultone.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Zugehörige Reaktionen
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Notizen zur Verbindung
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