CAS 10229-10-4 3-Pentyn-1-ol (HCID 66295)

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Basic information

CAS: 10229-10-4
Standard SMILES: CC#CCCO
InChIKey: IDYNOORNKYEHHO-UHFFFAOYSA-N
Molecular formula: C5H8O
Average molar mass: 84.12 g/mol
Monoisotopic mass: 84.05751488

Names & identifiers

Preferred name: 3-Pentyn-1-ol
IUPAC: pent-3-yn-1-ol
English name: 3-PENTYN-1-OL
Molecular formula: C5H8O
Molecular weight: 84.12

Names & synonyms

3-Pentyn-1-olpent-3-yn-1-ol10229-10-4MFCD000029563-pentynolEINECS 233-550-7AI3-372563-Pentyn-1-ol, 97%SCHEMBL487343SCHEMBL710650SCHEMBL964462SCHEMBL6903394

Show more names

3-pentyne-1-ol3-Pentyn-1-ol>3-PENTYN-1-OL 99%3-PENTYN-1-OL, 98%3-PENTYN-1-OL, 98%3-PENTYN-1-OL, 98%

SCHEMBL7366071DTXSID60650083-PENTYN-1-OL 99%3-Pentyn-1-ol, 99% 5GR3-Pentyn-1-ol>3-pentyne-1-ol3-PENTYN-1-OL 99+%SBB009118AKOS009156820

Database identifiers

CAS: 10229-10-4
PubChem CID: 66295
DTXSID: DTXSID6065008
EC Number: 233-550-7
Nikkaji: J126.450H

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 72.4

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionClear dark yellow liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -24.1 °C · -24.1°C (estimate)
Boiling point: 154 · 154-157 °C (lit.)
Density: 0.912 g/mL · 0.912 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.456(lit.)
Flash point: 130 °F · 130 °F
storage temp.: 2 · 2-8°C
pka: 14.39 · 14.39±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow to Light orange
Specific Gravity: 0.912 · 0.912

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information3-Pentyn-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

F: 10
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1987 3/PG 3
hs_code: 29052900
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: 3.2
Storage Class

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3-Pentyn-1-ol: ACTIVE

Applications

Uses3-Pentyn-1-ol was used in the synthesis of 4,4-bis(1-methyl-1H-indol-3-yl)pentan-1-ol.

General DescriptionInhibiting effect of 3-pentyn-1-ol on the corrosion of iron in 1M HCl has been investigated. Reaction of 3-pentyn-1-ol with Fe3(CO)12 in CH3OH/KOH solution yields closed trinuclear hydridic complex (μ-H)Fe3(CO)9(μ3-η3-[H3CCC(CH2)(CH2)CO]).