Ethylbenzyl chloride
Basic information
- CAS
26968-58-1- Standard SMILES
CCc1ccccc1CCl- InChIKey
MZMVVHAHSRJOEO-UHFFFAOYSA-N- Molecular formula
- C9H11Cl
- Average molar mass
- 154.63 g/mol
- Monoisotopic mass
- 154.054928
Overview
Ethylbenzyl chloride appears as a colorless to pale-colored liquid with a pungent odor. Insoluble in water and slightly denser than water. May irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Names & identifiers
- Preferred name
- Ethylbenzyl chloride
- IUPAC
- 1-(chloromethyl)-2-ethylbenzene
- English name
- Ethylbenzyl chloride
- Molecular formula
- C9H11Cl
- Molecular weight
- 154.64
Names & synonyms
(Chloromethyl)ethylbenzeneBenzene, (chloromethyl)ethyl-Toluene, alpha-chloro-ar-ethyl-EINECS 248-148-7RefChem:596566DTXSID20279171-CHLOROMETHYLETHYLBENZENETOLUENE, ALPHA-CHLOROETHYL-ETHYLBENZYL CHLORIDE (CORROSIVE LIQUIDS, N.O.S.)248-148-7ETHYLBENZYL CHLORIDE1-(chloromethyl)-2-ethylbenzene
Show more names
ETHYL BENZYL CHLORIDE4-ETHYLBENZYL CHLORIDEEthyl Benzyl ChloridesP-ETHYLBENZYL CHLORIDEα-Chloro-ar-ethyltoluene(chloromethyl)ethyl-benzenEthylbenzyl Chloride (EBC)Toluene, a-chloro-ar-ethyl-(chloromethyl)ethyl-benzeneBenzene,(chloromethyl)ethyl
1467-06-7Benzene, 1-(chloromethyl)-2-ethyl-Benzene, 1-(chloromethyl)-2-ethylSCHEMBL6072591-chloromethyl-2-ethyl-benzeneN46EY2T74FSCHEMBL1005334SCHEMBL2835726
Database identifiers
- CAS
26968-58-1- PubChem CID
- 524243
- UNII
- N46EY2T74F
- EC Number
- 248-148-7
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.7
Experimental & physicochemical properties
Physical Description
Ethylbenzyl chloride appears as a colorless to pale-colored liquid with a pungent odor. Insoluble in water and slightly denser than water. May irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Liquid
Physicochemical properties
- Melting point
- -21 °C · -21 °C
- Boiling point
- 111 °C · 111 °C
- CAS DataBase Reference
- 26968 · 26968-58-1(CAS DataBase Reference)
- EPA Substance Registry System
- Ethylbenzyl chloride (26968-58-1)
- Symbol(GHS)
- 8 · GHS08,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H314-H351
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P201-P202-P281-P308+P313-P405-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]
P203, P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, (chloromethyl)ethyl-
Benzene, (chloromethyl)ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (chloromethyl)ethyl- 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)
DOT LabelCombustible Liquid
Fire HazardsCombustible Material. (NOAA, 2008)
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Reactive GroupHalogenated Organic Compounds
Reactivity ProfileETHYLBENZYL CHLORIDE is moderately reactive. Incompatible with strong oxidizing and reducing agents. Also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Air and Water Reactions
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <2,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, (chloromethyl)ethyl-: ACTIVE
Applications
Uses4-Ethylbenzyl Chloride (CAS# 1467-05-6) can be used for oxidative degeneration of fragrant aldehydes in antiperspirant matrix leading to autoxidation and chlorinated products. It can also be used for extreme pressure additives toward lubricating oils and hydraulic fluids.
UsesIntermediate.
General DescriptionA colorless to pale-colored liquid with a pungent odor. Insoluble in water and slightly denser than water. May irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Additional notes
DefinitionConsists of 70% pand 30% o-ethylbenzyl chloride.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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