Basic information
- CAS
23511-70-8- Standard SMILES
CCCC(=O)OCCOc1ccccc1- InChIKey
OOZDRLVUFHSKIQ-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2-Phenoxyethyl butanoate
- IUPAC
- 2-phenoxyethyl butanoate
- English name
- 2-Phenoxyethyl butyrate
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
2-Phenoxyethyl butyrate23511-70-82-phenoxyethyl butanoateButyric acid, 2-phenoxyethyl esterButanoic acid, 2-phenoxyethyl ester9M1F95E6ENEINECS 245-705-6NSC 403864NSC-403864AI3-02110DTXSID5066902ETHANOL, 2-PHENOXY-, BUTYRATE
Show more names
Butyric acid 2-phenoxyethyl ester
RefChem:477954DTXCID6036889245-705-62-PhenoxyethylbutyrateUNII-9M1F95E6ENSCHEMBL3640377SCHEMBL8895277OOZDRLVUFHSKIQ-UHFFFAOYSA-N
Database identifiers
- CAS
23511-70-8- PubChem CID
- 90136
- DTXSID
DTXSID5066902- UNII
- 9M1F95E6EN
- EC Number
- 245-705-6
- Nikkaji
- J141.455K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
Food AdditivesFood
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 307.45 °C · 307.45°C (rough estimate)
- Density
- 1.0388 · 1.0388
- refractive index
- 1.5 · 1.5000 (estimate)
- FLAVIS Number
- 9.687 · 09.687 | 2-Phenoxyethyl butyrate
- storage temp.
- 2 · 2-8°C
- LogP
- 2.771 · 2.771 (est)
- FDA UNII
- 9 M1F95E6EN · 9M1F95E6EN
- EPA Substance Registry System
- 2 · 2-Phenoxyethyl butyrate (23511-70-8)
- 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.
Hazard information
Regulatory Information
Chemical: Butanoic acid, 2-phenoxyethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Butanoic acid, 2-phenoxyethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Butanoic acid, 2-phenoxyethyl ester: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoic acid, 2-phenoxyethyl ester: INACTIVE
Suppliers10 total
常州市华阳科技有限公司+8615250961469 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
career henan chemical co+86-0371-86658258 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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