Isochroman

ISOCHROMANE · ISOCHROMAN · ISO CHROMON · Isochroman>Isochroman,99% · Isochroman 99% · 1-H-Benzo-B-Pyran · RARECHEM AM UC 0319 · IsochroMan, 99% 25GR

Identifikatoren & physikalische Daten

CAS No.	493-05-0
Summenformel	C9H10O
Durchschnittliche Molmasse	134,17 g/mol
Monoisotopische Masse	134,07316494 g/mol
SMILES	c1ccc2c(c1)CCOC2
InChIKey	HEBMCVBCEDMUOF-UHFFFAOYSA-N
PubChem CID	96266
ChEBI	CHEBI:33225
EC No.	207-774-0
DTXSID	DTXSID50197757
Lokaler Name	Isochroman

XLogP	1,6
Polarare Oberfläche (TPSA)	9,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	111
Kovats Retention Index	1184.811511751.1
Schmelzpunkt	4.35°C
Siedepunkt	75 °C (3.0004 mmHg)
Dichte	1.067 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.545(lit.)
Flammpunkt	150 °F
Lagerbedingungen	Inert atmosphere,Room Temperature
Aggregatzustand	Liquid
Farbe	Clear colorless to yellow
Löslichkeit	Slightly soluble in water.
InChI	InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2
InChIKey	HEBMCVBCEDMUOF-UHFFFAOYSA-N
SMILES	C1OCC2=CC=CC=C2C1
CAS Datenbank	493-05-0(CAS DataBase Reference)
NIST chemische Informationen	Isochroman(493-05-0)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 11 of 11 reports by companies.There are 0 notifications provided by 0 of 11 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Chemical: 1H-2-Benzopyran, 3,4-dihydro-Status: No longer Valid Update: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28082
Weitere Sicherheitsinformationen	Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories	Not Classified
Wassergefährdungsklasse (WGK)	3
Zollcode	29329990
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	24/25
Lagerklasse	10 - Combustible liquids

Isochroman is a mycotoxins that inhibits the growth of Bacillus thuringiensis and causes morphological abnormalities in the cells.