Grundinformationen
- CAS
27610-92-0- Standard-SMILES
CCCCCCC(CCCC)C(=O)O- InChIKey
OARDBPIZDHVTCK-UHFFFAOYSA-N- Summenformel
- C12H24O2
- Durchschnittliche Molmasse
- 200,32 g/mol
- Monoisotopische Masse
- 200,17763
Namen und Bezeichner
- Bevorzugter Name
- 2-Butyloctanoic acid
- IUPAC
- 2-butyloctanoic acid
- Lokaler Name
- 2-Butyloctansure
- Englischer Name
- 2-BUTYLOCTANOIC ACID
- Summenformel
- C12H24O2
- Molmasse
- 200.32
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
27610-92-0- PubChem CID
- 33970
- DTXSID
DTXSID40884907- ChEMBL
CHEMBL1789216- UNII
- 89379760R4
- EC Number
- 248-570-1
- Nikkaji
- J64.737C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 143
Physikochemische Eigenschaften
- Siedepunkt
- 230 °C · 230 °C (lit.)
- Dichte
- 0.887 g/mL · 0.887 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.007 Pa · 0.007Pa at 20℃
- Brechungsindex
- 20 · n20/D 1.438(lit.)
- Flammpunkt
- 113 °C · 113 °C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oil
- pka
- 4.82 · 4.82±0.40(Predicted)
- Farbe
- Colourless
- Wasserlöslichkeit
- 2.2 mg/L · 2.2mg/L at 20℃
- 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
- 4.33 at · 4.33 at 25℃
- CAS Datenbank
- 27610 · 27610-92-0
- EPA chemische Informationen
- 2 · Octanoic acid, 2-butyl- (27610-92-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 5.5% (3 of 55) of reports.
Warning
H315 (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 exposure; Respiratory 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.
Gefahrenhinweise
Regulatory Information
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/20154
Octanoic 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.
Regulatorische Informationen
Regulatory Information
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/20154
Octanoic 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.
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- RTECS-Nr.
- RH0368000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
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