Basic information
- CAS
922-65-6- Standard SMILES
C=CC(O)C=C- InChIKey
ICMWSAALRSINTC-UHFFFAOYSA-N- Molecular formula
- C5H8O
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.05751487
Names & identifiers
- Preferred name
- 1,4-Pentadien-3-ol
- IUPAC
- penta-1,4-dien-3-ol
- English name
- 1,4-Pentadien-3-ol
- Molecular formula
- C5H8O
- Molecular weight
- 84.12
Names & synonyms
1,4-Pentadien-3-olPenta-1,4-dien-3-olCCRIS 8963EINECS 213-080-9DTXSID00238922Penta1,4dien3olRefChem:73373DTXCID50161413213-080-9ICMWSAALRSINTC-UHFFFAOYSA-NInChI=1/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H922-65-6
Show more names
DIVINYL CARBINOLSKL0991,4-PENTADIENE-3-OL1,4-PENTADIEN-3-OL 97+%Diethenylmethyl alcohol3-Hydroxy-1,4-pentadiene1,4-Pentadien-3-ol, stabilized, 98%1,4-Pentadien-3-ol ISO 9001：2015 REACH
divinylcarbinolMFCD00008633A844183AKOS015915437SY236737CS-0064552EN300-983701,4-Pentadien-3-ol, contains 0.4% hydroquinone as stabilizer, >=96%
Database identifiers
- CAS
922-65-6- PubChem CID
- 70204
- DTXSID
DTXSID00238922- EC Number
- 213-080-9
- Nikkaji
- J298.479B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 49
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesCoriolis coupling
Physical DescriptionClear liquid; [MSDSonline]
Physicochemical properties
- Boiling point
- 115 · 115-116 °C (lit.)
- Density
- 0.865 g/mL · 0.865 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.445(lit.)
- Flash point
- 86 °F · 86 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 13.68 · 13.68±0.20(Predicted)
- form
- Liquid
- color
- Clear colorless
- BRN
- 1735809 · 1735809
- Stability
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, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; May be harmful after ingestion, inhalation, or skin contact; [MSDSonline]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29052990
- risk_code
- 10-22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
Chemistry & industry
Applications
UsesStarting material for asymmetric epoxidation.1,2
Uses1,4-Pentadien-3-ol is a valuable building block in natural product synthesis. This chemical is a substrate employed in synthesising amino-substituted dienes via a bismuth-catalyzed SN1 displacement of alcohols by sulfonamide nucleophiles. Starting material for asymmetric epoxidation.
Upstream & downstream products
Downstream products
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
Related reactions
4 records
Compound notes
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