Basic information
- CAS
69557-50-2- Standard SMILES
Cc1cc(C)c(OCC(O)CO)c(C)c1- InChIKey
MJQYZWDGKQHWLS-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- 3-Mesityloxy-1,2-propanediol
- IUPAC
- 3-(2,4,6-trimethylphenoxy)propane-1,2-diol
- English name
- 1,2-Propanediol,3-(2,4,6-trimethylphenoxy)-
- Molecular formula
- C12H18O3
- Molecular weight
- 210.26952
Names & synonyms
3-mesityloxy-1,2-propanediolRefChem:502942654-380-33-(2,4,6-trimethylphenoxy)propane-1,2-diol69557-50-2NSC165625SCHEMBL3072540DTXSID70304401PDA41940AKOS024323157NSC-165625ST50443426
Show more names
1,2-Propanediol,3-(2,4,6-trimethylphenoxy)-
Database identifiers
- CAS
69557-50-2- PubChem CID
- 295960
- DTXSID
DTXSID70304401- EC Number
- 654-380-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · 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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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