1,10-Decanediol

Decanediol · Decane-1,10-diol · NSC406706 · NSC 406706 · NSC-406706 · Cetanediol · 10-Decanediol · 1,10-Decadiol

https://huagongshe.com/de/chemical/37153

Identifikatoren & physikalische Daten

CAS No.	112-47-0
Summenformel	C10H22O2
Durchschnittliche Molmasse	174,28 g/mol
Monoisotopische Masse	174,16197994 g/mol
SMILES	OCCCCCCCCCCO
InChIKey	FOTKYAAJKYLFFN-UHFFFAOYSA-N
PubChem CID	37153
EC No.	203-975-2
DTXSID	DTXSID3059420

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	9
Schwere Atome	12
Formalladung	0
Komplexität	64,2
Polymers	Other Classes -> Alcohols and Polyols, Other
Kosmetika	Cosmetic ingredients (1,10-Decanediol) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials Properties	Density
Physical Description	LiquidSolid[Merck Index] White solid[Sigma-Aldrich MSDS]
Schmelzpunkt	70-73 °C
Siedepunkt	297 °C
Dichte	1,08 g/cm3
Dampfdruck	<0.1 hPa (20 °C)
Brechungsindex	1.4603 (estimate)
Flammpunkt	152 °C
Lagerbedingungen	Store below +30°C.
Löslichkeit	0.7g/lInsoluble
Aggregatzustand	Pellets or Flakes and/or Powder
pKa (Säurekonstante)	14.89±0.10(Predicted)
Farbe	White
Merck	14,2849
BRN	1698975
Stabilität	Stable. Incompatible with oxidizing agents, acid chlorides, acid anhydrides, chloroformates, reducing agents.
Kosmetik-Inhaltsstoffe Funktionen	SOLVENT
InChI	1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
InChIKey	FOTKYAAJKYLFFN-UHFFFAOYSA-N
SMILES	OCCCCCCCCCCO
LogP (Verteilungskoeffizient)	2.73
CAS Datenbank	112-47-0(CAS DataBase Reference)
NIST chemische Informationen	1,10-Decanediol(112-47-0)
EPA chemische Informationen	1,10-Decanediol (112-47-0)

Sicherheit & Vorschriften

Selbstentzündungstemperatur
GHS-Einstufung	This chemical does not meet GHS hazard criteria for 99.3% (148 of 149) of all reports.Not ClassifiedAggregated GHS information provided per 149 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: 1,10-Decanediol1,10-Decanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,10-Decanediol 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: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/193341,10-Decanediol: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Gefahrenübersicht	Intraperitoneal lethal-dose (mouse) > 500 mg/kg[RTECS] May cause irritation[Sigma-Aldrich MSDS] See 1-Decanol.
Hazard Classes and Categories	Not Classified
Toxizitätsübersicht	Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Wassergefährdungsklasse (WGK)	1
TSCA-Inventar-Status	TSCA listed
Zollcode	29053980
RTECS-Nr.	HD8433713
Toxizität	LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rat > 2000 mg/kg
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

1,10-Decanediol is an minor intermediate in the production of polyesters. It also used in essence, perfumes and in pharmaceuticals. The diacrylate is hydrophobic and used for flexible dental materials, radiation curable coatings, and for lenses.

Herstellung & Synthese

synthetische

1,10-Decanediol is produced from sebacic acid by a hydrogenation process analogous to that described for 1,6-hexanediol.