Basic information
- CAS
134769-79-2- Standard SMILES
COC(Cc1ccccc1C)OC- InChIKey
LQXUNLBAEJOILA-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 1-(2,2-Dimethoxyethyl)-2-methylbenzene
- IUPAC
- 1-(2,2-dimethoxyethyl)-2-methylbenzene
- English name
- 2-Methylphenylacetaldehyde dimethyl acetal
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
1-(2,2-dimethoxyethyl)-2-methylbenzene134769-79-2DTXSID30564367RefChem:222731DTXCID405151432-Methylphenylacetaldehyde dimethyl acetalSCHEMBL18658983MFCD15144804DB-3725652-Methylphenylacetaldehyde dimethyl acetal, 97%Benzene, 1-(2,2-dimethoxyethyl)-2-methyl-
Database identifiers
- CAS
134769-79-2- PubChem CID
- 14817331
- DTXSID
DTXSID30564367- EC Number
- 693-809-9
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 95 · 95-103 °C(Press: 10 Torr)
- Density
- 0.995 g/mL · 0.995 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.499
- Flash point
- 98 °C · 98°C
- form
- liquid
- InChI
- 1S/C11H16O2/c1-9-6-4-5-7-10(9)8-11(12-2)13-3/h4-7,11H,8H2,1-3H3
- InChIKey
- LQXUNLBAEJOILA-UHFFFAOYSA-N
- SMILES
- COC(Cc1ccccc1C)OC
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-52/53
- Safety Statements
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, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 61
- Storage Class
- 10 - Combustible liquids not in Storage Class 3
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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