Basic information
- CAS
1838-88-6- Standard SMILES
CCC=C(C)COC(C)=O- InChIKey
SLNZJIRRMLAZEY-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2-Methylpent-2-en-1-yl acetate
- IUPAC
- 2-methylpent-2-enyl acetate
- English name
- 2-methylpent-2-en-1-yl acetate
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
2-Methylpent-2-en-1-yl acetate1838-88-62-Penten-1-ol, 2-methyl-, acetateMRX7SJW6HB2-Penten-1-ol, 2-methyl-, 1-acetateSCHEMBL1572600DTXSID00518172-methyl-2-penten-1-yl acetateNS001003792-methyl-2-penten-1-o acetate2-Methyl-2-penten-1-ol acetate2-Penten-1-ol,2-methyl-,acetate
Show more names
Acetic acid 2-methyl-2-penten-1-yl ester
Database identifiers
- CAS
1838-88-6- PubChem CID
- 74606
- DTXSID
DTXSID0051817- UNII
- MRX7SJW6HB
- EC Number
- 217-416-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 172.9 · 172.9±9.0 °C(Predicted)
- Density
- 0.902 · 0.902±0.06 g/cm3(Predicted)
- Odor
- pear melon banana fruity
- Odor Type
- fruity
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.601 · 2.601 (est)
- FDA UNII
- 7 SJW6HB · MRX7SJW6HB
- EPA Substance Registry System
- 2 · 2-Penten-1-ol, 2-methyl-, acetate (1838-88-6)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- TSCA
- TSCA listed
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Penten-1-ol, 2-methyl-, acetate
Other Safety InformationIMAP assessments - 2-Penten-1-ol, 2-methyl-, acetate: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Penten-1-ol, 2-methyl-, 1-acetate: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…