1,2-Propanediol, 3-(o-ethylphenoxy)-
Basic information
- CAS
7149-82-8- Standard SMILES
CCc1ccccc1OCC(O)CO- InChIKey
KLIWBPMQXVJEAN-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 1,2-Propanediol, 3-(o-ethylphenoxy)-
- IUPAC
- 3-(2-ethylphenoxy)propane-1,2-diol
- English name
- 3-(2-Ethylphenoxy)propane-1,2-diol
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24
Names & synonyms
7149-82-81,2-Propanediol, 3-(o-ethylphenoxy)-RefChem:10524293-(2-ethylphenoxy)propane-1,2-diol3-(o-Ethylphenoxy)-1,2-propanediolNSC 72336BRN 32541531,2-Propanediol, 3-(2-ethylphenoxy)-NSC723363-(2-ethylphenoxy)-1,2-propanediol1, 3-(o-ethylphenoxy)-WLN: Q1YQ1OR B2
Show more names
1, 3-(2-ethylphenoxy)-3-06-00-01657 (Beilstein Handbook Reference)SCHEMBL5878127CHEMBL2392190NSC-72336AKOS017515157F866275
Database identifiers
- CAS
7149-82-8- PubChem CID
- 98049
- ChEMBL
CHEMBL2392190- EC Number
- 695-425-7
- Nikkaji
- J50.826H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 149
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
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Related reactions
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Compound notes
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