Basic information
- CAS
72928-35-9- Standard SMILES
C=C(C)CCOC(=O)C=C(C)C- InChIKey
GRTNNHGFEQUXEO-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
2-Butenoic acid, 3-methyl-, 3-methyl-3-butenyl ester has been reported in Artemisia annua and Callitropsis nootkatensis with data available.
Names & identifiers
- Preferred name
- 2-Butenoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester
- IUPAC
- 3-methylbut-3-enyl 3-methylbut-2-enoate
- English name
- 3-methyl-3-butenyl 3-methyl-2-butenoate
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
72928-35-9Isoprenyl senecioate2-Butenoic acid, 3-methyl-, 3-methyl-3-butenyl ester3-methylbut-3-enyl 3-methylbut-2-enoate3-Methyl-3-butenyl 3-methyl-2-butenoateEINECS 277-069-02-Butenoic acid, 3-methyl-, 3-methyl-3-buten-1-yl esterDTXSID3072666RefChem:468033DTXCID9047419277-069-03-methylbut-3-en-1-yl 3-methylbut-2-enoate
Show more names
3-Methyl-2-butenoic acid 3-methyl-3-butenyl ester
3-methyl-but-3-en-1-yl 3-methyl-but-2-enoatePUA7GWY6FVNS00012715
Database identifiers
- CAS
72928-35-9- PubChem CID
- 166366
- DTXSID
DTXSID3072666- UNII
- PUA7GWY6FV
- EC Number
- 277-069-0
- Nikkaji
- J296.405H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 221.4 · 221.4±19.0 °C(Predicted)
- Density
- 0.907 · 0.907±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.113 · 3.113 (est)
- EPA Substance Registry System
- 2 · 2-Butenoic acid, 3-methyl-, 3-methyl-3-butenyl ester (72928-35-9)
- 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
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Butenoic acid, 3-methyl-, 3-methyl-3-butenyl ester
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester: ACTIVE
Suppliers1 total
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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