7-Methyl-3,4-dihydronaphthalen-1(2H)-one - CAS 22009-37-6
Catalog: |
BB017270 |
Product Name: |
7-Methyl-3,4-dihydronaphthalen-1(2H)-one |
CAS: |
22009-37-6 |
Synonyms: |
7-methyl-3,4-dihydro-2H-naphthalen-1-one; 7-methyl-3,4-dihydro-2H-naphthalen-1-one |
IUPAC Name: | 7-methyl-3,4-dihydro-2H-naphthalen-1-one |
Description: | 7-Methyl-3,4-dihydronaphthalen-1(2H)-one (CAS# 22009-37-6) is an intermediate in the synthesis of (±)-cis-Calamenene (~7:1 ratio of cis/trans) (C124900), a sesquiterpene and a volatile metabolite from Salvia fruticosa plants. This compound may be a potential antimicrobial, antifungal, and anti-inflammatory agent. |
Molecular Weight: | 160.21 |
Molecular Formula: | C11H12O |
Canonical SMILES: | CC1=CC2=C(CCCC2=O)C=C1 |
InChI: | InChI=1S/C11H12O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h5-7H,2-4H2,1H3 |
InChI Key: | GGMYZZBVIWUXEC-UHFFFAOYSA-N |
Boiling Point: | 287.1 ℃ at 760 mmHg |
Flash Point: | 121.1°C |
Density: | 1.074 g/cm3 |
LogP: | 2.51400 |
Refractive Index: | 1.557 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.088815002 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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