2-[2-(2-Chloroethoxy)ethoxy]ethanol

• CAS: 5197-62-6
• Catalog Number: ACM5197626
• Category: Alcohols
• Molecular Weight: 168.62
• Molecular Formula: C₆H₁₃ClO₃
• Synonyms: Triethylene glycol monochloride, NSC2636, 162973_ALDRICH, Triethylene glycol monochlorohydrin, LTBB001151, 2-[2-(2-Chloroethoxy)ethoxy]ethanol, CID78871, Ethanol, 2-[2-(2-chloroethoxy)ethoxy]-, EINECS 225-984-0, ZINC01641047, 2-(2-(2-Chloroethoxy)ethoxy)ethanol, Ethanol, 2-(2-(2-chloroethoxy)ethoxy)-, AI3-02506, 5197-62-6
• IUPAC Name: 2-[2-(2-chloroethoxy)ethoxy]ethanol
• Canonical SMILES: C(COCCOCCCl)O
• InChI Key: KECMLGZOQMJIBM-UHFFFAOYSA-N
• Boiling Point: 117-120ºC5 mm Hg(lit.)
• Flash Point: 225 °F
• Density: 1.16 g/mL at 25ºC(lit.)
• Appearance: colourless liquid
• EC Number: 225-984-0
• Exact Mass: 168.05500
• Hazard Statements: H302
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: S26-S36
• Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C6H13ClO3.

What is the molecular weight of the compound?

The molecular weight is 168.62 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-[2-(2-chloroethoxy)ethoxy]ethanol.

What is the InChI of the compound?

The InChI is InChI=1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2.

What is the InChIKey of the compound?

The InChIKey is KECMLGZOQMJIBM-UHFFFAOYSA-N.

What is the CAS number of the compound?

The CAS number is 5197-62-6.

How many hydrogen bond donor count does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 3 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 7 rotatable bond count.

Is the compound canonicalized?

Yes, the compound is canonicalized.