Basic information
- CAS
6315-04-4- Standard SMILES
CCC(CC)C(=O)OCCc1ccccc1- InChIKey
DKEOOFKYPNZAAZ-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- Phenethyl 2-ethylbutanoate
- IUPAC
- 2-phenylethyl 2-ethylbutanoate
- English name
- phenethyl 2-ethylbutyrate
- Molecular formula
- C14H20O2
- Molecular weight
- 220.31
Names & synonyms
2-Phenylethyl 2-ethylbutyrate2-phenylethyl 2-ethylbutanoate6315-04-4phenethyl 2-ethylbutanoatePhenethyl 2-ethylbutyrateBAJ002YBN2Butanoic acid, 2-ethyl-, 2-phenylethyl esterDiethylacetic acid, phenylethyl esterNSC-20052DTXSID3064225EINECS 228-643-4NSC 20052
Show more names
Phenethyl-2-ethylbutyrat2-Ethylbutanoic acid 2-phenylethyl ester
RefChem:860576DTXCID8043731phenethyl diethylacetateUNII-BAJ002YBN2SCHEMBL585944NSC200522-Ethylbutyric acid, phenethyl esterAKOS017182082
Database identifiers
- CAS
6315-04-4- PubChem CID
- 80585
- DTXSID
DTXSID3064225- UNII
- BAJ002YBN2
- EC Number
- 228-643-4
- Nikkaji
- J206.903B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Phenethyl 2-ethylbutyrate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 299.2 · 299.2±9.0 °C(Predicted)
- Density
- 0.978 · 0.978±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.18 · 4.180 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 YBN2 · BAJ002YBN2
- EPA Substance Registry System
- 2 · 2-Phenylethyl 2-ethylbutyrate (6315-04-4)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
- 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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 259 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Butanoic acid, 2-ethyl-, 2-phenylethyl ester
Other Safety InformationIMAP assessments - Butanoic acid, 2-ethyl-, 2-phenylethyl ester: Environment tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationButanoic acid, 2-ethyl-, 2-phenylethyl ester: ACTIVE
Suppliers2 total
吉良化学21-62165282 · [email protected]
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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