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Basic Description
| Synonyms | C09868 | FEMA No. 3235 | 3,6-dimethyl-4,5,6,7-tetrahydro-benzofuran | (R)-(+)-Menthofuran | 3,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran # | MENTHOFURAN, (+/-)- | MFCD00041851 | Benzofuran,5,6,7-tetrahydro-3,6-dimethyl- | NCGC00090822-01 | NCGC00090822-02 |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
explanation： 4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran, a monoterpene flavor compound, is one of the key constituents of peppermint oil and Euodia hortensis forma hortensis leaf oil. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Monoterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic monoterpenoids |
| Alternative Parents | Bicyclic monoterpenoids Benzofurans Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Menthofuran monoterpenoid - Bicyclic monoterpenoid - Aromatic monoterpenoid - Benzofuran - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
| External Descriptors | a monoterpenoid |
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Associated Targets(Human)
CYP2A6
Tchem
Cytochrome P450 2A6 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
AR
Tclin
Androgen Receptor (11781 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TSHR
Tclin
Thyroid stimulating hormone receptor (29986 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2D6
Tclin
Cytochrome P450 2D6 (33882 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP1A2
Tchem
Cytochrome P450 1A2 (26471 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2C9
Tchem
Cytochrome P450 2C9 (32119 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2C19
Tchem
Cytochrome P450 2C19 (29246 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP3A4
Tclin
Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2A6
Tchem
Cytochrome P450 2A6 (2861 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Liver microsomes (16955 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504758492 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758492 |
| IUPAC Name | 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran |
| INCHI | InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3 |
| InChIKey | YGWKXXYGDYYFJU-UHFFFAOYSA-N |
| Smiles | CC1CCC2=C(C1)OC=C2C |
| Isomeric SMILES | CC1CCC2=C(C1)OC=C2C |
| Molecular Weight | 150.22 |
| Reaxy-Rn | 112934 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112934&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B23031027 |
Certificate of Analysis | Aug 22, 2022 | M341736 |
| B23031031 |
Certificate of Analysis | Aug 22, 2022 | M341736 |
| B23031033 |
Certificate of Analysis | Aug 22, 2022 | M341736 |
| B23031023 |
Certificate of Analysis | Aug 22, 2022 | M341736 |
| C2515093 |
Certificate of Analysis | Aug 22, 2022 | M341736 |
Chemical and Physical Properties
| Refractive Index | 1.4845 |
|---|---|
| Specific Rotation[α] | [α]25/D +90°, c = 10 in methanol |
| Flash Point(°F) | 167°F |
| Flash Point(°C) | 75℃ |
| Boil Point(°C) | 80-82° C at 13 mmHg |
| Molecular Weight | 150.220 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 150.104 Da |
| Monoisotopic Mass | 150.104 Da |
| Topological Polar Surface Area | 13.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
Customer Reviews
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