Basic information
- CAS
50639-00-4- Standard SMILES
CCCC=C(CC)CO- InChIKey
JSRFYJBJQPGAAA-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
isolated from Camponotus quadrisectus; structure in first source
Names & identifiers
- Preferred name
- 2-Ethyl-2-hexenol
- IUPAC
- 2-ethylhex-2-en-1-ol
- English name
- 2-ethylhex-2-enol
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
2-Ethyl-2-hexenolRefChem:90979550639-00-42-Hexen-1-ol, 2-ethyl-2-ethylhex-2-en-1-olSCHEMBL1065705SCHEMBL7554696NS00058207F8702632-ethylhex-2-enol2-Ethyl-2-hexenol (~85%)(E)-2-Ethyl-2-hexen-1-ol
Database identifiers
- CAS
50639-00-4- PubChem CID
- 39749
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.6
Physicochemical properties
- Boiling point
- 85 · 85-86 °C(Press: 25 Torr)
- Density
- 0.8568 g/cm3 · 0.8568 g/cm3
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Diethyl Ether, DMSO (Slightly）
- form
- Oil
- pka
- 14.73 · 14.73±0.10(Predicted)
- color
- Colourless to Light Yellow
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P240-P241-P242-P243-P261-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P210-P240-P241-P242-P243-P261-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
Uses2-Ethyl-2-hexenol is an intermediate in the synthesis of 2-(Chloromethyl)-1-butene (C368570). 2-(Chloromethyl)-1-buteneis a useful reagent for palladium(II)-catalyzed intramolecular tandem aminoalkylation. It can also be used to prepare(±)-Stemonamine and (±)-Cephalotaxine.
Upstream & downstream products
Downstream products
Suppliers18 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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