CAS 6261-22-9 2-Pentyn-1-ol (HCID 80421)

Names & identifiers

Preferred name: 2-Pentyn-1-ol
IUPAC: pent-2-yn-1-ol
English name: 2-Pentyn-1-ol
Molecular formula: C5H8O
Molecular weight: 84.12

Names & synonyms

2-Pentyn-1-olpent-2-yn-1-olEINECS 228-411-2AI3-37254DTXSID0064177RefChem:89000DTXCID4043430228-411-2InChI=1/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1HWLPYSOCRPHTIDZ-UHFFFAOYSA-N6261-22-92-pentynol

Show more names

CCC#CCO2-pentyn-1-0l2-PENTYN-2-OL1-pentyn-1-ol2-Pentyn-1-ol>2-Pentyn-1-ol 98%2-Pentyn-1-ol,95%

2-Pentyne-1-olMFCD000409152-Pentynyl alcohol2-Pentyn-1-ol, 98%A2E2Y3AQD6SCHEMBL27078SCHEMBL83896SCHEMBL127175

Database identifiers

CAS: 6261-22-9
PubChem CID: 80421
DTXSID: DTXSID0064177
UNII: A2E2Y3AQD6
EC Number: 228-411-2
Nikkaji: J31.340H

Properties

Computed structural properties

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

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -49.7 °C · -49.7°C
Boiling point: 84 · 84-85 °C/57 mmHg (lit.)
Density: 0.909 g/mL · 0.909 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.452(lit.)
Flash point: 137 °F · 137 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: clear liquid
pka: 13.04 · 13.04±0.10(Predicted)
color: Colorless to Light yellow to Light orange
BRN: 1734007 · 1734007
InChI: 1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3
InChIKey: WLPYSOCRPHTIDZ-UHFFFAOYSA-N
SMILES: CCC#CCO
CAS DataBase Reference: 6261 · 6261-22-9(CAS DataBase Reference)
FDA UNII: 2 E2Y3AQD6 · A2E2Y3AQD6
EPA Substance Registry System: 2 · 2-Pentyn-1-ol (6261-22-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-37/39
RIDADR: 1987 · UN 1987 3/PG 3
WGK Germany: 3 · 3
F: 10 · 10
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 2905190098 · 2905190098
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 2-Pentyn-1-ol

Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)

Safety data

F: 10
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1987 3/PG 3
hs_code: 2905190098
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 26-36/37/39-37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Pentyn-1-ol: ACTIVE

Applications

Uses2-Pentyn-1-ol was employed as starting reagent for the synthesis of (-)-muricatacin. It was also used in the preparation of (2Z)-3-tributylstannyl-2-penten-1-ol.