Basic information
- Standard SMILES
OCCOCCCl- InChIKey
LECMBPWEOVZHKN-UHFFFAOYSA-N- Molecular formula
- C4H9ClO2
- Average molar mass
- 124.56 g/mol
- Monoisotopic mass
- 124.02910721
Names & identifiers
- Preferred name
- 2-(Chloroethoxy)ethanol
- IUPAC
- 2-(2-chloroethoxy)ethanol
- English name
- 2-(2-Chloroethoxy)ethanol
- Molecular formula
- C4H9ClO2
- Molecular weight
- 124.57
Names & synonyms
Show more names
Database identifiers
- CAS
628-89-7- PubChem CID
- 12361
- DTXSID
DTXSID9060861- UNII
- R2UP818L4I
- EC Number
- 211-059-9
- Nikkaji
- J34.792B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 32.9
Experimental & physicochemical properties
Physicochemical properties
- Boiling point
- 79 · 79-81 °C5 mm Hg(lit.)
- Density
- 1.18 g/mL · 1.18 g/mL at 25 °C(lit.)
- vapor pressure
- 22.66 Pa · 22.66Pa at 20℃
- refractive index
- 20 · n20/D 1.452(lit.)
- Flash point
- 195 °F · 195 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- SOLUBLE
- form
- Liquid
- pka
- 14.34 · 14.34±0.10(Predicted)
- color
- Clear
- Water Solubility
- SOLUBLE
- BRN
- 506015 · 506015
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C4H9ClO2/c5-1-3-7-4-2-6/h6H,1-4H2
- InChIKey
- LECMBPWEOVZHKN-UHFFFAOYSA-N
- SMILES
- OCCOCCCl
- LogP
- 0.301 at · 0.301 at 30℃
- CAS DataBase Reference
- 628 · 628-89-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 UP818L4I · R2UP818L4I
- NIST Chemistry Reference
- 2 · Ethanol, 2-(2-chloroethoxy)-(628-89-7)
- EPA Substance Registry System
- 2 · Ethanol, 2-(2-chloroethoxy)- (628-89-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 26 · 26-36-39
- RIDADR
- 3334 · UN 3334
- WGK Germany
- 2 · 2
- RTECS
- 1350000 · KK1350000
- F
- 19 · 19
- TSCA
- TSCA listed
- HS Code
- 29094990 · 29094990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (48.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 210 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 04-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10550
Ethanol, 2-(2-chloroethoxy)-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 19
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- KK1350000
- ridadr
- UN 3334
- hs_code
- 29094990
- risk_code
- 36/37/38-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-36-39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses2-(2-Chloroethoxy)ethanol is a degradation product of Bis(2-Chloroethyl) Ether. 2-(2-Chloroethoxy)ethanol is a potential genotoxic impurity (PGI) in active pharmaceutical ingredients (APIs).
Uses2-(2-Chloroethoxy)ethanol is employed in the preparation of o-nitrophenylbromoacetaldehyde bis-2-(2-chloroethoxy)-ethyl acetal, quetiapine and 2-(2-azidoethoxy)ethanol.
Uses2-(2-Chloroethoxy)ethanol was used in the synthesis of o-nitrophenylbromoacetaldehyde bis-2-(2-chloroethoxy)-ethyl acetal, quetiapine (an antipsychotic drug) and 2-(2-azidoethoxy)ethanol.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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