1,5-Dimethyltetralin - CAS 21564-91-0

Catalog:	BB016963
Product Name:	1,5-Dimethyltetralin
CAS:	21564-91-0
Synonyms:	1,5-dimethyl-1,2,3,4-tetrahydronaphthalene

Technical Data

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Computed Properties

IUPAC Name:	1,5-dimethyl-1,2,3,4-tetrahydronaphthalene
Description:	1,5-Dimethyltetralin (CAS# 21564-91-0 ) is a useful research chemical.
Molecular Weight:	160.26
Molecular Formula:	C12H16
Canonical SMILES:	CC1CCCC2=C1C=CC=C2C
InChI:	InChI=1S/C12H16/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3,5,8,10H,4,6-7H2,1-2H3
InChI Key:	BMADLDGHUBLVMQ-UHFFFAOYSA-N
Boiling Point:	241.2 °C at 760 mmHg
Density:	0.928 g/cm³
Appearance:	Colorless clear liquid
MDL:	MFCD00128082
LogP:	3.43480

Publication Number	Title	Priority Date
DE-202019005189-U1	Electroluminescent device	20191219
US-2021149267-A1	Electro-optic media including oppositely charged particles and variable transmission device incorporating the same	20191114
WO-2021097180-A1	Electro-optic media including oppositely charged particles and variable transmission device incorporating the same	20191114
JP-2019216291-A	Organic electroluminescence device	20191001
CN-110172017-A	A method of high-purity naphthalic acid is prepared by raw material of naphthalene	20190528

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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:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.125200510
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.125200510
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4