Grundinformationen
- CAS
24468-13-1- Standard-SMILES
CCCCC(CC)COC(=O)Cl- InChIKey
RTGLJCSUKOLTEM-UHFFFAOYSA-N- Summenformel
- C9H17ClO2
- Durchschnittliche Molmasse
- 192,68 g/mol
- Monoisotopische Masse
- 192,09170746
Überblick
2-ethylhexyl chloroformate appears as a colorless to light yellow colored liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and/or skin absorption.
Namen und Bezeichner
- Bevorzugter Name
- 2-Ethylhexyl chloroformate
- IUPAC
- 2-ethylhexyl carbonochloridate
- Lokaler Name
- 2-Ethylhexylchlorformiat
- Englischer Name
- 2-Ethylhexyl chloroformate
- Summenformel
- C9H17ClO2
- Molmasse
- 192.68
Namen und Synonyme
2-Ethylhexyl chloroformateCarbonochloridic acid, 2-ethylhexyl esterChloroformic acid 2-ethylhexyl esterDTXSID20278322-ethylhexyl chlorocarbonateEINECS 246-278-98GNA16Q81RUNII-8GNA16Q81RFormic acid, chloro-, 2-ethylhexyl esterDTXCID007832RTGLJCSUKOLTEM-UHFFFAOYSA-EC 246-278-9
Weitere Namen anzeigen
OCTYL CHLOROFORMATE2-EHCFIsoctyl chlorideETHYLHEXYLCHLOROFORMATE2-ETHYLHEXYCHLOROFORMATE2-etylhexyl-chlorformiat2-Ethylhexylchlorformiat2-ethvlhexvlchloroformate2-Ethylhexyl chloroformat
ethyl hexylchloroformateRefChem:86982246-278-9InChI=1/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H324468-13-12-ethylhexyl carbonochloridateMFCD00000643Chloroformic Acid Octyl Ester
Datenbank-Bezeichner
- CAS
24468-13-1- PubChem CID
- 62783
- DTXSID
DTXSID2027832- ChEMBL
CHEMBL1880924- UNII
- 8GNA16Q81R
- EC Number
- 246-278-9
- Nikkaji
- J56.136C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 126
Experimentelle und physikochemische Eigenschaften
Boiling Point106 °C @760 [mm Hg]
Physical Description
2-ethylhexyl chloroformate appears as a colorless to light yellow colored liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and/or skin absorption.
Liquid
Physikochemische Eigenschaften
- Siedepunkt
- 106 · 106-107 °C30 mm Hg(lit.)
- Dichte
- 0.981 g/mL · 0.981 g/mL at 25 °C(lit.)
- Dampfdichte
- 1 · >1 (vs air)
- Dampfdruck
- 0.1 psi · 0.1 psi ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.431(lit.)
- Flammpunkt
- 179 °F · 179 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- soluble in Ether,Benzene,Chloroform
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- InChI
- InChI=1S/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3
- InChIKey
- RTGLJCSUKOLTEM-UHFFFAOYSA-N
- SMILES
- C(Cl)(OCC(CC)CCCC)=O
- CAS Datenbank
- 24468 · 24468-13-1(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Carbonochloridic acid, 2-ethylhexyl ester (24468-13-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H290 (37.5%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P271, P272, P280, P284, P302+P352, P304+P340, P316, P320, P321, P332+P317, P333+P317, P362+P364, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 184 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Carbonochloridic acid, 2-ethylhexyl ester
Carbonochloridic acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonochloridic acid, 2-ethylhexyl ester 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: 22-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14153
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelPoison Corrosive
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
DOT ID and Guide2748 156
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
Reactivity AlertsWater-Reactive
Reactivity Profile
2-ETHYLHEXYL CHLOROFORMATE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
2-Ethylhexyl chloroformate
UN2748
Div 6.1 Poisonous materials (49 eCFR § 173.132)
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsProduces corrosive toxic fumes containing HCl on contact with moist air. Decomposes in water.
Hazard Classes and CategoriesMet. Corr. 1 (37.5%)
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
Protective Action Criteria (PAC)
0.088 [ppm]
0.97 [ppm]
2.9 [ppm]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Emergency Response Planning Guidelines· Note: Most foams will react with the material and release corrosive/toxic gases.
AEGLs NotesNR = Not recommended. Absence of an AEGL-1 value does not imply that exposure below the AEGL-2 value is without adverse effects.
AEGLs Table
AEGL 1: Notable discomfort, irritation, or certain asymptomatic non-sensory effects. However, the effects are not disabling and are transient and reversible upon cessation of exposure (Unit: ppm)
NR
NR
NR
NR
NR
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2748
- hs_code
- 29159000
- RTECS-Nr.
- FG3660000
- risk_code
- 23/24/25-34-43-38-26
- hazard_code
- T,T+
- safety_code
- 26-27-36/37/39-45-36/37-28
- hazard_class
- 6.1
- packing_group
- II
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Carbonochloridic acid, 2-ethylhexyl ester: ACTIVE
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