4-Pentyn-1-ol

HCID 79346CAS 5390-04-5
Substructure searchFind similar structures

Basic information

Standard SMILES
C#CCCCO
InChIKey
CRWVOXFUXPYTRK-UHFFFAOYSA-N
Molecular formula
C5H8O
Average molar mass
84.12 g/mol
Monoisotopic mass
84.05751488

Overview

structure in first source

Names & identifiers

Preferred name
4-Pentyn-1-ol
IUPAC
pent-4-yn-1-ol
English name
4-Pentyn-1-ol
Molecular formula
C5H8O
Molecular weight
84.12

Names & synonyms

4-Pentyn-1-olPent-4-yn-1-ol5390-04-52PDG6ME2TLDTXSID70202175NSC-5274AI3-37253RefChem:100315DTXCID70124666226-383-64-Pentyne-1-ol1-Pentyn-5-ol
Show more names
4-Pentin-1-olpent-1-yn-5-ol1-Pentyne-5-ol4-Pentyn-1-ol>4-Pentin-1-ol 97%4-Pentyn-1-ol,95%4-Pentyn-1-ol,97%
MFCD000029745-hydroxy-1-pentyne4-pentynolUNII-2PDG6ME2TLNSC 5274EINECS 226-383-6CS-W011358EN300-21738

Database identifiers

CAS
5390-04-5
PubChem CID
79346
DTXSID
DTXSID70202175
UNII
2PDG6ME2TL
EC Number
226-383-6
Nikkaji
J150.811C

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
6

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point
-24.1 °C · -24.1°C (estimate)
Boiling point
154 · 154-155 °C (lit.)
Density
0.904 g/mL · 0.904 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.445(lit.)
Flash point
143 °F · 143 °F
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
10
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
1987
hs_code
29052900
risk_code
36/37/38

Chemistry & industry

Applications · 2 items

Uses4-Pentyn-1-ol is an alkyne alcohol that is used as an initiator in ring-opening polymerization reactions. 4-Pentyn-1-ol is capable of undergoing cyclosisomerization, and is also used as a reactant in the synthesis of (+)-Serinolamide A, a cannabinoid CB1 receptor agonist.

General DescriptionMechanism of (THF)W(CO)5-promoted endo- and exo-cycloisomerization of 4-pentyn-1-ol was studied.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Related reactions

228 records
New reaction record

Linked notes

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