Pentane-1,4-diol

HCID 79083CAS 626-95-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(O)CCCO
InChIKey
GLOBUAZSRIOKLN-UHFFFAOYSA-N
Molecular formula
C5H12O2
Average molar mass
104.15 g/mol
Monoisotopic mass
104.08372962

Names & identifiers

Preferred name
Pentane-1,4-diol
IUPAC
pentane-1,4-diol
English name
1,4-PENTANEDIOL
Molecular formula
C5H12O2
Molecular weight
104.15

Names & synonyms

1,4-PentanediolPentane-1,4-diol626-95-9EINECS 210-973-5AI3-08028GLOBUAZSRIOKLN-UHFFFAOYSA-DTXSID20870727RefChem:859900DTXCID80818423210-973-5InChI=1/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3MFCD00004560
Show more names
1,4-pentyldiolDihydroxypentan1,4-Pentanediol 99%1,4-Pentanediol,99%1,4-Dihydroxypentan1,4-Pentanediol - [P94584]
1,4-Pentanediol, 99%SCHEMBL50388AKOS024462638AS-30506SY239899CS-0154051EN300-1723781,4 pentanediol

Database identifiers

CAS
626-95-9
PubChem CID
79083
DTXSID
DTXSID20870727
EC Number
210-973-5
Nikkaji
J112.125A

Properties

Computed structural properties

XLogP
0
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
7

Physicochemical properties

Melting point
50.86 °C · 50.86°C (estimate)
Boiling point
72 · 72-73 °C/0.03 mmHg (lit.)
Density
0.986 g/mL · 0.986 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.447(lit.)
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.

Not Classified

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves
wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
10 - Combustible liquids
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Applications · 3 items

Uses1,4-Pentanediol is a useful synthetic intermediate. It was used in the preparation of poly(ortho ester). 1,4-Pentanediol on dehydration in water at 573K yields five-membered ether, 2-methyltetrahydrofuran.

Uses1,4-Pentanediol was used in the preparation of poly(ortho ester).

General Description1,4-Pentanediol on dehydration in water at 573K yields five-membered ether, 2-methyltetrahydrofuran.

Upstream & downstream products

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

Loading…