CAS 24468-13-1 2-Ethylhexyl chloroformate (HCID 62783)

Overview

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.

Names & identifiers

Preferred name: 2-Ethylhexyl chloroformate
IUPAC: 2-ethylhexyl carbonochloridate
English name: 2-Ethylhexyl chloroformate
Molecular formula: C9H17ClO2
Molecular weight: 192.68

Names & synonyms

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

Show more names

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

Database identifiers

CAS: 24468-13-1
PubChem CID: 62783
DTXSID: DTXSID2027832
ChEMBL: CHEMBL1880924
UNII: 8GNA16Q81R
EC Number: 246-278-9
Nikkaji: J56.136C

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

Boiling Point106 °C @760 [mm Hg]

Physical Description · 2 items

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

Physicochemical properties

Boiling point: 106 · 106-107 °C30 mm Hg(lit.)
Density: 0.981 g/mL · 0.981 g/mL at 25 °C(lit.)
vapor density: 1 · >1 (vs air)
vapor pressure: 0.1 psi · 0.1 psi ( 20 °C)
refractive index: 20 · n20/D 1.431(lit.)
Flash point: 179 °F · 179 °F
storage temp.: 2 · 2-8°C
solubility: soluble in Ether,Benzene,Chloroform
form: clear liquid
color: 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 DataBase Reference: 24468 · 24468-13-1(CAS DataBase Reference)
FDA UNII: 8 GNA16Q81R · 8GNA16Q81R
EPA Substance Registry System: 2 · Carbonochloridic acid, 2-ethylhexyl ester (24468-13-1)
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 300 · H300+H310+H330-H315-H318-H317-H401-H290
Precautionary statements: 501 · P501-P273-P272-P270-P262-P260-P234-P271-P264-P280-P284-P390-P361+P364-P333+P313-P301+P310+P330-P302+P352+P310-P304+P340+P310-P305+P351+P338+P310-P403+P233-P406-P405
Hazard Codes: T,T+
Risk Statements: 23 · 23/24/25-34-43-38-26
Safety Statements: 26 · 26-27-36/37/39-45-36/37-28
RIDADR: 2748 · UN 2748
WGK Germany: 2 · 2
RTECS: 3660000 · FG3660000
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29159000 · 29159000
REACH Registrations: Active
Limited Quantities: 100 ml · 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 3 items

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 · 2 items

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2 items

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

Safety & protection

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Accidental Release Measures · 2 items

· 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 · 2 items

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 · 2 items

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Immediate precautionary measure

Safety data

wgk: 2
tsca: TSCA listed
rtecs: FG3660000
ridadr: UN 2748
hs_code: 29159000
risk_code: 23/24/25-34-43-38-26
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T,T+
safety_code: 26-27-36/37/39-45-36/37-28
hazard_class: 6.1
packing_group: II
Hazard statements: H300+H310+H330-H315-H318-H317-H401-H290
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Precautionary statements: P501-P273-P272-P270-P262-P260-P234-P271-P264-P280-P284-P390-P361+P364-P333+P313-P301+P310+P330-P302+P352+P310-P304+P340+P310-P305+P351+P338+P310-P403+P233-P406-P405

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 1,000,000 - <8,500,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

Carbonochloridic acid, 2-ethylhexyl ester: ACTIVE

Applications

Uses2-Ethylhexyl chloroformate is used as an initiator.

General DescriptionA 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.