Basic information
- CAS
5197-62-6- Standard SMILES
OCCOCCOCCCl- InChIKey
KECMLGZOQMJIBM-UHFFFAOYSA-N- Molecular formula
- C6H13ClO3
- Average molar mass
- 168.62 g/mol
- Monoisotopic mass
- 168.05532196
Names & identifiers
- Preferred name
- 2-(2-(2-Chloroethoxy)ethoxy)ethanol
- IUPAC
- 2-[2-(2-chloroethoxy)ethoxy]ethanol
- English name
- 2-[2-(2-CHLOROETHOXY)ETHOXY]ETHANOL
- Molecular formula
- C6H13ClO3
- Molecular weight
- 168.62
Names & synonyms
Show more names
Database identifiers
- CAS
5197-62-6- PubChem CID
- 78871
- DTXSID
DTXSID30199936- UNII
- 2LAL276UYP
- EC Number
- 225-984-0
- Nikkaji
- J102.269E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 61
Physicochemical properties
- Boiling point
- 117 · 117-120 °C5 mm Hg(lit.)
- Density
- 1.16 g/mL · 1.16 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.458(lit.)
- Flash point
- 225 °F · 225 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly)
- pka
- 14.36 · 14.36±0.10(Predicted)
- form
- Liquid
- color
- Clear slightly yellow
- BRN
- 1739194 · 1739194
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2
- InChIKey
- KECMLGZOQMJIBM-UHFFFAOYSA-N
- SMILES
- C(O)COCCOCCCl
- CAS DataBase Reference
- 5197 · 5197-62-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29094990 · 29094990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (71.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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 57 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29094990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-[2-(2-Chloroethoxy)ethoxy]ethanol is used in the preparation of ethylene glycol based amino acids. 2-[2-(2-Chloroethoxy)ethoxy]ethanol is also used in the preparation of polymers for direct and amplified DNA detection.
Uses2-[2-(2-Chloroethoxy)ethoxy]ethanol was used in the synthesis of 1-[3-(2-aminoethyl)-1H-indol-5-yloxy]-3,6-dioxa-8-mercaptooctane. It was also used in the synthesis of modified oligonucleotides bearing a disulfide or a thiol function at the 3′-end and other modifications at the 5′-end.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
Loading…