Thyme oil
TL;DR: Thyme oil (CAS 8007-46-3) is a chemical compound with molecular formula C50H82O4 and molecular weight 746.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-1,6-dien-3-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol;5-methyl-2-propan-2-ylphenol
Also Known As: Thyme oil, Thyme oil red, Oil of thyme, Thyme absolute, Thyme extract
| Molecular Formula | C50H82O4 |
|---|---|
| Molecular Weight | 746.62 g/mol |
| LogP | 13.30944 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 746.62134 |
| Heavy Atoms | 54 |
| Complexity | 1460.9174 |
Chemical Identifiers
| CAS Number | 8007-46-3 |
|---|---|
| SMILES | CC1=CCC(CC1)C(C)(C)O.CC1=CC=C(C=C1)C(C)C.CC1=CC(=C(C=C1)C(C)C)O.CC(C)C12CCC(C1C2)(C)O.CC(=CCCC(C)(C=C)O)C |
Product Overview
Thyme oil (CAS 8007-46-3), with molecular formula C50H82O4 and molecular weight 746.62 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol;5-methyl-2-propan-2-ylphenol.
Chemical Property Profile of Thyme oil
Property Insights of Thyme oil
The XLogP value of 13.30944 indicates that Thyme oil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Thyme oil. Following Lipinski's Rule of Five, Thyme oil has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thyme oil?
The CAS number of Thyme oil is 8007-46-3.
What is the molecular formula of Thyme oil?
The molecular formula of Thyme oil is C50H82O4.
What is the molecular weight of Thyme oil?
The molecular weight of Thyme oil is 746.62 g/mol.
Where can I buy Thyme oil?
You can request a quote for Thyme oil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thyme oil?
Yes, KEHONG BIO provides custom synthesis services for Thyme oil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.