4-Carvomenthenol - CAS 562-74-3
Catalog: |
BB029314 |
Product Name: |
4-Carvomenthenol |
CAS: |
562-74-3 |
Synonyms: |
4-methyl-1-propan-2-yl-1-cyclohex-3-enol; 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
IUPAC Name: | 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
Description: | Terpinen-4-ol is a naturally occurring monoterpene that is a component of tea-tree oil. It exhibits antioxidant and antifungal properties. |
Molecular Weight: | 154.25 |
Molecular Formula: | C10H18O |
Canonical SMILES: | CC1=CCC(CC1)(C(C)C)O |
InChI: | InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3 |
InChI Key: | WRYLYDPHFGVWKC-UHFFFAOYSA-N |
Boiling Point: | 212 °C |
Flash Point: | 82°C |
Density: | 0.929 g/cm3 |
Appearance: | Oil |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
LogP: | 2.50370 |
Refractive Index: | 1.476-1.482 |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. |
Vapor Pressure: | 0.04 mm Hg at 25 °C (est) |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
31393563 | 20191101 | Lavender Products Associated With Premature Thelarche and Prepubertal Gynecomastia: Case Reports and Endocrine-Disrupting Chemical Activities | The Journal of clinical endocrinology and metabolism |
30033015 | 20180701 | Transcriptome profiling reveals differential gene expression of detoxification enzymes in Sitophilus zeamais responding to terpinen-4-ol fumigation | Pesticide biochemistry and physiology |
29844252 | 20180529 | MAO-A Inhibitory Potential of Terpene Constituents from Ginger Rhizomes-A Bioactivity Guided Fractionation | Molecules (Basel, Switzerland) |
23469686 | 20130201 | Plasma and dermal pharmacokinetics of terpinen-4-ol in rats following intravenous administration | Die Pharmazie |
23122094 | 20130115 | Effect of heat treatments on the essential oils of kumquat (Fortunella margarita Swingle) | Food chemistry |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.135765193 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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