3-Methylpentan-1,5-diol

1,5-Pentanediol, 3-methyl- · 1,5-Pentanediol, 3-m · 3-Methyl-1,5-pentadiol · 3-methyl-5-pentanediol · 3-Methyl-1,5-pentandiol · 3-METHYL-1,5-PENTANEDIOL · 5-Pentanediol,3-methyl-1 · 3-methyl-pentane-1,5-diol

https://huagongshe.com/de/chemical/20524

Molekülstruktur von 3-Methylpentan-1,5-diol

Identifikatoren & physikalische Daten

CAS No.	4457-71-0
Summenformel	C6H14O2
Durchschnittliche Molmasse	118,17 g/mol
Monoisotopische Masse	118,09937969 g/mol
SMILES	CC(CCO)CCO
InChIKey	SXFJDZNJHVPHPH-UHFFFAOYSA-N
PubChem CID	20524
EC No.	224-709-1
DTXSID	DTXSID1063483
Lokaler Name	3-Methylpentan-1,5-diol

Chemische & physikalische Eigenschaften

XLogP	0,3
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	4
Schwere Atome	8
Formalladung	0
Komplexität	39,8
SpringerMaterials Properties	Boiling point
Physical Description	Liquid
Schmelzpunkt	-60°C
Siedepunkt	150 °C / 25mmHg
Dichte	0.974 g/mL at 20 °C (lit.)
Dampfdruck	0.072Pa at 25℃
Brechungsindex	n20/D 1.454
Flammpunkt	143°C
Lagerbedingungen	2-30°C
Aggregatzustand	clear liquid
pKa (Säurekonstante)	14.78±0.10(Predicted)
Wichte	0.976 (20/4℃)
Farbe	Colorless
Löslichkeit	1000g/L at 20℃
BRN	1697331
InChI	1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3
InChIKey	SXFJDZNJHVPHPH-UHFFFAOYSA-N
SMILES	CC(CCO)CCO
LogP (Verteilungskoeffizient)	0.03 at 25℃
CAS Datenbank	4457-71-0(CAS DataBase Reference)
NIST chemische Informationen	1,5-Pentanediol, 3-methyl-(4457-71-0)
EPA chemische Informationen	3-Methyl-1,5-pentanediol (4457-71-0)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 0.8% (1 of 131) of reports.WarningH319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 131 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: 1,5-Pentanediol, 3-methyl-Regulation (EC) No 1935/2004 (amended)1,5-Pentanediol, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Pentanediol, 3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/104551,5-Pentanediol, 3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Eye Irrit. 2 (99.2%)
Wassergefährdungsklasse (WGK)	1
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	1987
Zollcode	2905399590
RTECS-Nr.	SA0800000
Sicherheitshinweise (S)	23-24/25
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Eye Irrit. 2

Anwendungen & Verwendung

Verwenden

3-Methyl-1,5-pentanediol is a reagent used in the preparation of lactones from diols using molecular oxygen oxidant and hydrotalcite-supported gold nanoparticles catalysts under mild conditions.