Octan-1,2-diol

CAPRYLYL GLYCOL · Octane-1,2-diol · 1,2-DIHYDROXYOCTANE · R,S-Octane-1,2-diol · octane-1, · 1,2-Octandiol · Octan-1,2-diol · 1,2-OCTANEDIOL

https://huagongshe.com/de/chemical/14231

Identifikatoren & physikalische Daten

CAS No.	1117-86-8
Summenformel	C8H18O2
Durchschnittliche Molmasse	146,23 g/mol
Monoisotopische Masse	146,13067982 g/mol
SMILES	CCCCCCC(O)CO
InChIKey	AEIJTFQOBWATKX-UHFFFAOYSA-N
PubChem CID	14231
ChEMBL	CHEMBL3186864
ChEBI	CHEBI:34056
EC No.	214-254-7
DTXSID	DTXSID9036646
Lokaler Name	Octan-1,2-diol

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	6
Schwere Atome	10
Formalladung	0
Komplexität	64,3
Lipide	Fatty Acyls [FA] -> Fatty alcohols [FA05]
Polymers	Other Classes -> Alcohols and Polyols, Other
Kosmetika	Cosmetic ingredients (Caprylyl Glycol) -> CIR (Cosmetic Ingredient Review)Hair conditioningHumectantEmollient
Duftstoffe	Fragrance Ingredient (1,2-Octanediol) -> IFRA transparency List
Physical Description	LiquidWhite solidmp = 30-35 deg C[CBW MSDS]
Schmelzpunkt	36-38 °C (lit.)
Siedepunkt	131-132 °C/10 mmHg (lit.)
Dichte	0.914
Dampfdichte	>1 (vs air)
Dampfdruck	0.28Pa at 25℃
Brechungsindex	1.4505 (estimate)
Flammpunkt	>230 °F
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	3 g/L (20°C)3 g/L (20 ºC)
Aggregatzustand	Low Melting Solid
pKa (Säurekonstante)	14.60±0.10(Predicted)
Farbe	Colorless to white
BRN	1719619
Kosmetik-Inhaltsstoffe Funktionen	SKIN CONDITIONING - EMOLLIENTDEODORANTHAIR CONDITIONINGSKIN CONDITIONING
LogP (Verteilungskoeffizient)	2.1 at 25℃
CAS Datenbank	1117-86-8(CAS DataBase Reference)
NIST chemische Informationen	1,2-Octanediol(1117-86-8)
EPA chemische Informationen	1,2-Octanediol (1117-86-8)

Sicherheit & Vorschriften

Gefahrenklasse
GHS-Einstufung	This chemical does not meet GHS hazard criteria for 15.9% (77 of 485) of reports.WarningH319 (82.9%): 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 485 reports by companies from 5 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: 1,2-Octanediol1,2-Octanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Octanediol 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/141201,2-Octanediol: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	A severe eye irritant that may cause serious injury[CBW MSDS] See 2-Octanol.
EPA Safer Chemical	Chemical: Caprylyl glycol
Hazard Classes and Categories	Eye Irrit. 2 (82.9%)
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)	2
TSCA-Inventar-Status	TSCA listed
Zollcode	29053990
R-Sätze (R)	36
Gefahrensymbole	Xi
Sicherheitshinweise (S)	37/39-26-24/25

Anwendungen & Verwendung

Verwenden

Researchers used 1,2-octanediol (1,2-OcD) as a model substrate for the development of catalyst WOx-Pd/rutile TiO2 for the one-pot production of dialkyl ether (dioctyl ether (OE) from 1,2-OcD) from diol by hydrodeoxygenation[1].

Verwenden

caprylyl glycol (1,2-Octanediol) is an emollient with moisturizing properties that may also be used as a cosmetic stabilizer. When found in combination with phenoxyethanol these two ingredients work together as an anti-microbial.