Basic information
- CAS
5881-17-4- Standard SMILES
CCCCCC(CC)CC- InChIKey
OEYGTUAKNZFCDJ-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- 3-Ethyloctane
- IUPAC
- 3-ethyloctane
- English name
- 3-Ethyl octane
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
3-EthyloctaneOctane, 3-ethyl-DTXSID5064049RefChem:93861DTXCID7042483622-323-1OEYGTUAKNZFCDJ-UHFFFAOYSA-N5881-17-43-ETHYL OCTANE3-ethyl-octaneSCHEMBL78343SCHEMBL100729
Show more names
3-ethyl-octanoctane,3-ethyl-3-Ethyloctane in isooctane
SCHEMBL148169SCHEMBL598336SCHEMBL1004202SCHEMBL1128089SCHEMBL1447691SCHEMBL3053710SCHEMBL5986553SCHEMBL10524241
Database identifiers
- CAS
5881-17-4- PubChem CID
- 79985
- DTXSID
DTXSID5064049- EC Number
- 622-323-1
- Nikkaji
- J121.237K
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 53.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -87.69 °C · -87.69°C
- Boiling point
- 166.51 °C · 166.51°C
- Density
- 0.736 · 0.7360
- refractive index
- 1.4136 · 1.4136
- Water Solubility
- 65.19 ug/L · 65.19ug/L(temperature not stated)
- Henry's Law Constant
- 1.1 · 1.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- 3 · Octane, 3-ethyl- (5881-17-4)
- 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
This chemical does not meet GHS hazard criteria for 86.4% (38 of 44) of all reports.
Danger
H225 (13.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (13.6%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctane, 3-ethyl-: ACTIVE
Applications
Uses3-Ethyloctane, is a volatile organic compound detected in local seaweeds.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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