Basic information
- CAS
2109-99-1- Standard SMILES
CC(CO)(CO)Cc1ccccc1- InChIKey
XEDJJCRGHSVDKQ-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 2-Benzyl-2-methyl-1,3-propanediol
- IUPAC
- 2-benzyl-2-methylpropane-1,3-diol
- English name
- 1,3-Propanediol,2-methyl-2-(phenylmethyl)-
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
2-benzyl-2-methyl-1,3-propanediolRefChem:465639664-877-72-benzyl-2-methylpropane-1,3-diol2109-99-1NSC 172549NSC172549SCHEMBL5164402DTXSID10305896MFCD00155253AKOS017516277NSC-172549
Show more names
1,3-Propanediol,2-methyl-2-(phenylmethyl)-
SY522578DB-0936362,2-bis(4-hydroxy3-methyl) phenyl propane
Database identifiers
- CAS
2109-99-1- PubChem CID
- 299476
- DTXSID
DTXSID10305896- EC Number
- 664-877-7
- Nikkaji
- J1.216.834I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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 38 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
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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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