2-Pentanol, 3-ethyl-
Basic information
- CAS
609-27-8- Standard SMILES
CCC(CC)C(C)O- InChIKey
NEHRITNOSGFGGS-UHFFFAOYSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Names & identifiers
- Preferred name
- 2-Pentanol, 3-ethyl-
- IUPAC
- 3-ethylpentan-2-ol
- English name
- 3-Ethyl-2-pentanol
- Molecular formula
- C7H16O
- Molecular weight
- 116.2
Names & synonyms
3-Ethyl-2-pentanol2-Pentanol, 3-ethyl-NSC 91502BRN 1697141DTXSID108833412-01-00-00445 (Beilstein Handbook Reference)RefChem:88966DTXCID001022879622-947-4NEHRITNOSGFGGS-UHFFFAOYSA-N3-ethylpentan-2-ol609-27-8
Show more names
3-ethyl-2-pentano3-ethylpentan-2-ol - [E87073]
MFCD000218883-Ethyl-pentan-2-olNSC91502SCHEMBL428149SCHEMBL2507702SCHEMBL2507703SCHEMBL3160759SCHEMBL4393741
Database identifiers
- CAS
609-27-8- PubChem CID
- 79069
- DTXSID
DTXSID10883341- EC Number
- 622-947-4
- Nikkaji
- J49.946C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 48.3
Physicochemical properties
- Melting point
- -30.45 °C · -30.45°C (estimate)
- Boiling point
- 149 °C · 149°C
- Density
- 0.834 · 0.8340
- refractive index
- 1.426 · 1.4260
- pka
- 15.12 · 15.12±0.20(Predicted)
- Henry's Law Constant
- 1.1 · 1.1×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 2.055 · 2.055 (est)
- EPA Substance Registry System
- 2 · 2-Pentanol, 3-ethyl- (609-27-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- 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
Warning
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (97.4%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pentanol, 3-ethyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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