2-Butyloctansure

BUTYLOCTANOIC ACID · ISOLAURIC ACID · JARICTM I-12 · 2-Butyloctansure · 2-Butyloctansaeure · 2-butyl-octanoicaci · 2-BUTYLOCTANOIC ACID · 2-butyl-caprylic acid

https://huagongshe.com/de/chemical/33970

Identifikatoren & physikalische Daten

CAS No.	27610-92-0
Summenformel	C12H24O2
Durchschnittliche Molmasse	200,32 g/mol
Monoisotopische Masse	200,17763 g/mol
SMILES	CCCCCCC(CCCC)C(=O)O
InChIKey	OARDBPIZDHVTCK-UHFFFAOYSA-N
PubChem CID	33970
ChEMBL	CHEMBL1789216
EC No.	248-570-1
DTXSID	DTXSID40884907
Lokaler Name	2-Butyloctansure

Chemische & physikalische Eigenschaften

XLogP	4,3
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	9
Schwere Atome	14
Formalladung	0
Komplexität	143
Siedepunkt	230 °C (lit.)
Dichte	0.887 g/mL at 25 °C (lit.)
Dampfdruck	0.007Pa at 20℃
Brechungsindex	n20/D 1.438(lit.)
Flammpunkt	113 °C
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)2.2mg/L at 20℃
Aggregatzustand	Oil
pKa (Säurekonstante)	4.82±0.40(Predicted)
Farbe	Colourless
Stabilität	Stable. Incompatible with strong oxidizing agents. Combustible.
Kosmetik-Inhaltsstoffe Funktionen	SURFACTANT - CLEANSINGSURFACTANT - EMULSIFYINGCLEANSING
InChI	1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)
InChIKey	OARDBPIZDHVTCK-UHFFFAOYSA-N
SMILES	CCCCCCC(CCCC)C(O)=O
LogP (Verteilungskoeffizient)	4.33 at 25℃
CAS Datenbank	27610-92-0
EPA chemische Informationen	Octanoic acid, 2-butyl- (27610-92-0)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 5.5% (3 of 55) of reports.WarningH315 (70.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (70.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (70.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (23.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 55 reports by companies.There are 3 notifications provided by 52 of 55 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: Octanoic acid, 2-butyl-Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20154Octanoic acid, 2-butyl-: 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.
Weitere Sicherheitsinformationen	Assessment (Certificate) - Octanoic acid, 2-butyl-: Health and Environment
Hazard Classes and Categories	Skin Irrit. 2 (70.9%)Eye Irrit. 2 (70.9%)