Linalool - CAS 78-70-6
Catalog: |
BB036229 |
Product Name: |
Linalool |
CAS: |
78-70-6 |
Synonyms: |
3,7-dimethylocta-1,6-dien-3-ol |
IUPAC Name: | 3,7-dimethylocta-1,6-dien-3-ol |
Description: | Linalool (CAS# 78-70-6) is a useful research chemical. |
Molecular Weight: | 154.25 |
Molecular Formula: | C10H18O |
Canonical SMILES: | CC(=CCCC(C)(C=C)O)C |
InChI: | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 |
InChI Key: | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
Boiling Point: | 199 °C |
Melting Point: | < 25 °C |
Flash Point: | 78 °C (172 °F) - closed cup |
Purity: | > 98 % |
Density: | 0.861 g/cm3 |
Appearance: | Oil |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating fumes |
MDL: | MFCD00008906 |
LogP: | 2.66980 |
Quality Standard: | Enterprise Standard |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 0.16 [mmHg] |
GHS Hazard Statement: | H315 (95.86%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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JP-2021152083-A | Pest control method | 20210702 |
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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 |
30578595 | 20190401 | Potential anti-inflammatory and antioxidant effects of Citrus aurantium essential oil against carbon tetrachloride-mediated hepatotoxicity: A biochemical, molecular and histopathological changes in adult rats | Environmental toxicology |
30466616 | 20181201 | Efficacy of linalool to ameliorate uremia induced vascular calcification in wistar rats | Phytomedicine : international journal of phytotherapy and phytopharmacology |
29723517 | 20180601 | Inhibitory effect of α-terpinyl acetate on cytochrome P450 2B6 enzymatic activity | Chemico-biological interactions |
29746128 | 20180525 | Identification, Functional Characterization, and Seasonal Expression Patterns of Five Sesquiterpene Synthases in Liquidambar formosana | Journal of natural products |
Complexity: | 154 |
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: | 4 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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