Basic information
- CAS
72894-11-2- Standard SMILES
CC=CCOC(=O)COCCC(C)C- InChIKey
HAQZXWILUDCVSQ-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- Buten-2-yl (3-methylbutoxy)acetate
- IUPAC
- but-2-enyl 2-(3-methylbutoxy)acetate
- English name
- buten-2-yl (3-methylbutoxy)acetate
- Molecular formula
- C11H20O3
- Molecular weight
- 200.27
Names & synonyms
Buten-2-yl (3-methylbutoxy)acetateDTXSID207262972894-11-2RefChem:330944DTXCID4047381276-962-2but-2-enyl 2-(3-methylbutoxy)acetateSCHEMBL29827432HAQZXWILUDCVSQ-UHFFFAOYSA-NBut-2-en-1-yl (3-methylbutoxy)acetatebutenyl isoamyl oxyacetatebut-1-en-2-yl 2-(3-methylbutoxy)acetate
Show more names
(3-Methylbutoxy)acetic acid 2-butenyl esterAcetic acid, (3-methylbutoxy)-, 2-butenyl esterAcetic acid, 2-(3-methylbutoxy)-, 2-buten-1-yl ester
Database identifiers
- CAS
72894-11-2- PubChem CID
- 166342
- DTXSID
DTXSID2072629- EC Number
- 276-962-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 261.3 · 261.3±15.0 °C(Predicted)
- Density
- 0.936 · 0.936±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.062 · 3.062 (est)
- EPA Substance Registry System
- Acetic acid, (3-methylbutoxy)-, 2-butenyl ester (72894-11-2)
- 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: Acetic acid, (3-methylbutoxy)-, 2-butenyl ester
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-(3-methylbutoxy)-, 2-buten-1-yl ester: ACTIVE
Suppliers3 total
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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