Basic information
- CAS
68085-49-4- Standard SMILES
COC(=O)/C=C/C(OC)OC- InChIKey
CWHHPNNHJKOQQV-SNAWJCMRSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
Names & identifiers
- Preferred name
- Methyl 4,4-dimethoxybut-2-enoate
- IUPAC
- methyl (E)-4,4-dimethoxybut-2-enoate
Names & synonyms
methyl 4,4-dimethoxybut-2-enoate68085-49-4RefChem:815668978-809-1methyl (2E)-4,4-dimethoxybut-2-enoate32815-00-2SCHEMBL5696391MFCD33550656methyl (E) 4,4-dimethoxy-2-butenoateMethyl (E)-4,4-Dimethoxy-2-butenoateSY379364Methyl (2E)-4,4-dimethoxy-2-butenoate #
Show more names
EN300-1800332-Butenoic acid, 4,4-dimethoxy-, methyl esterEN300-27113475
Database identifiers
- CAS
68085-49-4- PubChem CID
- 5371699
- EC Number
- 978-809-1
- Nikkaji
- J3.571.169D
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 137
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
1 records
Compound notes
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