Heptane, 4-ethyl-
Basic information
- CAS
2216-32-2- Standard SMILES
CCCC(CC)CCC- InChIKey
XMROPFQWHHUFFS-UHFFFAOYSA-N- Molecular formula
- C9.H20
- Average molar mass
- 128.25 g/mol
- Monoisotopic mass
- 128.15650064
Names & identifiers
- Preferred name
- Heptane, 4-ethyl-
- IUPAC
- 4-ethylheptane
- English name
- 4-ETHYLHEPTANE
- Molecular formula
- C9H20
- Molecular weight
- 128.26
Names & synonyms
4-ETHYLHEPTANE2216-32-2Heptane, 4-ethyl-DTXSID20176690RefChem:783660DTXCID7099181679-926-8InChI=1/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H4-ethyl-heptaneMFCD00048743SCHEMBL56604SCHEMBL82931
Show more names
ethylheptaneheptane,4-ethyl-Ethylheptane, 4-4-Ethylheptane>4-ETHYLHEPTANE 99+%
SCHEMBL82932SCHEMBL100142SCHEMBL383605SCHEMBL1678094SCHEMBL3891259SCHEMBL4620077SCHEMBL7007183SCHEMBL9259722
Database identifiers
- CAS
2216-32-2- PubChem CID
- 16663
- DTXSID
DTXSID20176690- EC Number
- 679-926-8
- Nikkaji
- J96.503K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 42
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Density0.7241 @25 °C
Boiling Point141.2 °C @760 [mm Hg]
Physicochemical properties
- Melting point
- -113.19 °C · -113.19°C
- Boiling point
- 141 °C · 141 °C
- Density
- 0.73 · 0.73
- refractive index
- 1.407 · 1.4070-1.4090
- Flash point
- 30 °C · 30 °C
- solubility
- soluble in Ether,Benzene,Acetone
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- 242.2 ug/L · 242.2ug/L(temperature not stated)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety & protection
Protective Action Criteria (PAC)
230 [ppm]
385 [ppm]
5000 [ppm]
Safety data
- ridadr
- 1920
- hs_code
- 2901.10.5000
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H304
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
Chemistry & industry
Applications
UsesOrganic synthesis
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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