Basic information
- CAS
4798-58-7- Standard SMILES
C/C=C/C(O)CC- InChIKey
KWUXUOPPQQMMIL-HWKANZROSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- Hex-4-en-3-ol
- IUPAC
- (E)-hex-4-en-3-ol
- English name
- 2-HEXEN-4-OL
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
4-Hexen-3-olHex-4-en-3-olEINECS 225-356-6AI3-28613NSC 93799RefChem:784368225-356-62-Hexen-4-ol4798-58-7(E)-hex-4-en-3-olAllyl alcohol, 1-ethyl-3-methyl-.alpha.-Ethyl-.gamma.-methylallyl alcohol
Show more names
2-HEXEN-4-OL, CIS + TRANS 97%2-Hexen-4-ol, cis + trans, 97%alpha-Ethyl-gamma-methylallyl alcohol2-HEXENE-4-OL MIXTURE OF CIS & TRANS-I&
NSC93799MFCD000219194-Hexen-3-ol, 97%SCHEMBL131188SCHEMBL716185SCHEMBL1069248SCHEMBL3269482NIOSH/MP4195000
Database identifiers
- CAS
4798-58-7- PubChem CID
- 5366234
- EC Number
- 225-356-6
- Nikkaji
- J262.463J、J432.480C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.2
Physicochemical properties
- Melting point
- 22.55 °C · 22.55°C (estimate)
- Boiling point
- 135.25 °C · 135.25°C
- Density
- 0.8489 · 0.8489 (estimate)
- refractive index
- 1.4273 · 1.4273 (estimate)
- pka
- 14.77 · 14.77±0.20(Predicted)
- Water Solubility
- 36.7 g/L · 36.7g/L(25 ºC)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Risk Statements
- 10 · 10
- Safety Statements
- 23 · 23-24/25
- RIDADR
- 1987 · 1987
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
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
H226 (100%): Flammable liquid and vapor [Warning 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 1987
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 23-24/25
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H226
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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