2-Methyl-1-tetralone - CAS 1590-08-5

Catalog:	BB011483
Product Name:	2-Methyl-1-tetralone
CAS:	1590-08-5
Synonyms:	2-methyl-3,4-dihydro-2H-naphthalen-1-one

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Computed Properties

IUPAC Name:	2-methyl-3,4-dihydro-2H-naphthalen-1-one
Description:	2-Methyl-1-tetralone (CAS# 1590-08-5) is a compound useful in organic synthesis.
Molecular Weight:	160.21
Molecular Formula:	C11H12O
Canonical SMILES:	CC1CCC2=CC=CC=C2C1=O
InChI:	InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3
InChI Key:	GANIBVZSZGNMNB-UHFFFAOYSA-N
Boiling Point:	127-131 °C (12 mmHg)
Density:	1.057 g/cm³
Appearance:	Liquid
MDL:	MFCD00001690
LogP:	2.45160

Publication Number	Title	Priority Date
CN-113185433-A	Preparation method of menadione sodium bisulfite	20200114
WO-2020136522-A1	Photoinitiators	20181228
CN-113518805-A	Photoinitiator	20181228
KR-20210110342-A	photoinitiator	20181228
CN-110743517-A	Preparation process of polysaccharide derivative coating type chiral stationary phase	20180710

PMID	Publication Date	Title	Journal
18228542	20080101	Enantioselective decarboxylation of beta-keto esters with Pd/amino alcohol systems: successive metal catalysis and organocatalysis	Chemistry (Weinheim an der Bergstrasse, Germany)
15281743	20040805	BINAP/1,4-diamine-ruthenium(II) complexes for efficient asymmetric hydrogenation of 1-tetralones and analogues	Organic letters
15255744	20040723	Asymmetric protonation of ketone enolates using chiral beta-hydroxyethers: acidity-tuned enantioselectivity	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6