Basic information
- CAS
56006-48-5- Standard SMILES
CCCC[C@@H](CC)C(=O)O- InChIKey
OBETXYAYXDNJHR-SSDOTTSWSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- (-)-2-Ethylhexanoic acid
- IUPAC
- (2R)-2-ethylhexanoic acid
- English name
- [R,(-)]-2-Ethylhexanoic acid
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
(-)-2-Ethylhexanoic acidRefChem:390921807-274-8(R)-2-Ethylhexanoic acid56006-48-5(2R)-2-ethylhexanoic acidMFCD00870518CHEMBL1162487Hexanoic acid, 2-ethyl-, (2R)-R-(-)-2-ethylhexanoic acid[R,(-)]-2-Ethylhexanoic acidJ56.592J
Show more names
(R)-2-Ethylhexanoicacid(r)-2-ethyl-hexanoic acidQR73A7FJX3SCHEMBL5512393OBETXYAYXDNJHR-SSDOTTSWSA-N2-ETHYLHEXANOIC ACID, (R)-BDBM50412193EBC-12241
Database identifiers
- CAS
56006-48-5- PubChem CID
- 78052
- ChEMBL
CHEMBL1162487- UNII
- QR73A7FJX3
- EC Number
- 807-274-8
- Nikkaji
- J56.592J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.4
Physicochemical properties
- Boiling point
- 228 · 228.0±0.0 °C(Predicted)
- Density
- 0.926 · 0.926±0.06 g/cm3(Predicted)
- pka
- 4.82 · 4.82±0.25(Predicted)
- Odor
- 1 % · at 1.00 % in propylene glycol. herbal earthy
- Odor Type
- herbal
- LogP
- 2.72 · 2.720 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers8 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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