Heptanoic acid, 2-ethyl-
Basic information
- CAS
3274-29-1- Standard SMILES
CCCCCC(CC)C(=O)O- InChIKey
DYWSVUBJGFTOQC-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Overview
Xi-2-Ethylheptanoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- Heptanoic acid, 2-ethyl-
- IUPAC
- 2-ethylheptanoic acid
- English name
- 2-Ethylheptanoic acid
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
2-ETHYLHEPTANOIC ACID3274-29-1Heptanoic acid, 2-ethyl-EINECS 221-902-2DTXSID40880929RefChem:783687DTXCID401022271221-902-22-ethyl-heptanoic acidxi-2-Ethylheptanoic acidMFCD022586263-Octanecarboxylic acid
Show more names
2-Ethylheptansaure2-ethyl-heptanoicaci2-ethylenanthic acid
2-ETHYLHEPTANOICACIDoctane-3-carboxylic acidSCHEMBL29946SCHEMBL276551SCHEMBL4273690SCHEMBL7615969SCHEMBL7784462SCHEMBL28062948
Database identifiers
- CAS
3274-29-1- PubChem CID
- 18648
- DTXSID
DTXSID40880929- ChEBI
CHEBI:179877- EC Number
- 221-902-2
- Nikkaji
- J100.889G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 246.47 °C · 246.47°C (estimate)
- Density
- 0.9113 · 0.9113 (rough estimate)
- refractive index
- 1.4247 · 1.4247
- storage temp.
- Refrigerator
- solubility
- Chloroform (Sparingly)
- form
- Oil
- pka
- 4.82 · 4.82±0.25(Predicted)
- color
- Colourless
- LogP
- 3.089 · 3.089 (est)
- EPA Substance Registry System
- 2 · Heptanoic acid, 2-ethyl- (3274-29-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
General Manufacturing InformationHeptanoic acid, 2-ethyl-: ACTIVE
Applications
Uses2-Ethylheptanoic Acid is used in the preparation of prostaglandin which is for for promoting bone growth
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Xi-2-Ethylheptanoic acid is a medium-chain fatty acid.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…