3-(2-Chloro-6-methylphenoxy)-1,2-propanediol
Basic information
- CAS
7149-83-9- Standard SMILES
Cc1cccc(Cl)c1OCC(O)CO- InChIKey
MEVXADNQQUNQKB-UHFFFAOYSA-N- Molecular formula
- C10H13ClO3
- Average molar mass
- 216.66 g/mol
- Monoisotopic mass
- 216.055322
Names & identifiers
- Preferred name
- 3-(2-Chloro-6-methylphenoxy)-1,2-propanediol
- IUPAC
- 3-(2-chloro-6-methylphenoxy)propane-1,2-diol
- English name
- 3-[(2-Chloro-6-methylphenyl)oxy]propane-1,2-diol
- Molecular formula
- C10H13ClO3
- Molecular weight
- 216.66
Names & synonyms
3-(2-chloro-6-methylphenoxy)-1,2-propanediolRefChem:490847684-749-47149-83-9NSC 72337BRN 32721703-(6-Chloro-o-tolyloxy)-1,2-propanediol1,2-Propanediol, 3-(6-chloro-o-tolyloxy)-NSC723374-06-00-01985 (Beilstein Handbook Reference)1,2-Propanediol, 3-((2-chloro-6-methylphenyl)oxy)-WLN: Q1YQ1OR BG F1
Show more names
1,2-Propanediol, 3-(2-chloro-6-methylphenoxy)-3-[(2-Chloro-6-methylphenyl)oxy]propane-1,2-diol
CHEMBL3277196DTXSID4013849441, 3-[(6-chloro-o-tolyl)oxy]-NSC-72337AKOS0243243071, 3-[(2-chloro-6-methylphenyl)oxy]-3-[(6-Chloro-o-tolyl)oxy]-1,2-propanediol
Database identifiers
- CAS
7149-83-9- PubChem CID
- 98050
- DTXSID
DTXSID401384944- ChEMBL
CHEMBL3277196- EC Number
- 684-749-4
- Nikkaji
- J50.788A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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