Basic information
- CAS
50652-78-3- Standard SMILES
COC(=O)C=CC(C)C- InChIKey
YVOAQDZUARKSRL-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- CID 535005
- IUPAC
- methyl 4-methylpent-2-enoate
- English name
- Methyl 4-methyl-2-pentenoate
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
SCHEMBL690477YVOAQDZUARKSRL-UHFFFAOYSA-NDB-096337Methyl 4-methyl-2-pentenoateMethyl4-methyl-2-pentenoate,97%4-Methyl-2-pentenoic acid methyl ester2-Pentenoic acid, 4-methyl-, methyl ester
Database identifiers
- CAS
50652-78-3- PubChem CID
- 535005
- DTXSID
DTXSID601347502
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 74 · 74-75°C 46mm
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- refractive index
- 1.4305 · 1.4305
- Flash point
- 47 °C · 47°C
- Water Solubility
- Not miscible or difficult to mix in water.
- BRN
- 1744872 · 1744872
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3272 · 3272
- Hazard Note
- Irritant
- HazardClass
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3272
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers19 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
上海班科生物技术有限公司2221346380 17701603001 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海书吉生物科技有限公司021-021-62200788 15000569291 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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