CAS 764-60-3 Hex-2-yn-1-ol (HCID 69818)

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Basic information

CAS: 764-60-3
Standard SMILES: CCCC#CCO
InChIKey: BTDWSZJDLLLTMI-UHFFFAOYSA-N
Molecular formula: C6H10O
Average molar mass: 98.14 g/mol
Monoisotopic mass: 98.07316494

Names & identifiers

Preferred name: Hex-2-yn-1-ol
IUPAC: hex-2-yn-1-ol
English name: 2-Hexyn-1-ol
Molecular formula: C6H10O
Molecular weight: 98.14

Names & synonyms

Hex-2-yn-1-ol2-Hexyn-1-ol764-60-3EINECS 212-128-6AI3-37257DTXSID90227229RefChem:784347DTXCID40149720212-128-6InChI=1/C6H10O/c1-2-3-4-5-6-7/h7H,2-3,6H2,1HMFCD000395402-Hexyn-1-ol, 97%

Show more names

2-Hexynol2-HEXYNE-1-OL2-Hexyn-1-ol>2-Hexyn-1-ol 97%2-Hexyn-1-ol,97%2-HEXYN-1-OL, 97%2-HEXYN-1-OL, 97%2-HEXYN-1-OL, 97%2-chloro-1-(6-diethoxyphosphorylhexoxy)-4-methoxybenzene

AKOS015837602AS-56501SY048488CS-0143648H0465D90881EN300-16630101-Formylcyclohexyl benzoate

Database identifiers

CAS: 764-60-3
PubChem CID: 69818
DTXSID: DTXSID90227229
EC Number: 212-128-6
Nikkaji: J126.445A

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 82.8

Physicochemical properties

Melting point: -52.5 °C · -52.5°C
Boiling point: 66 · 66-67 °C/10 mmHg (lit.)
Density: 0.893 g/mL · 0.893 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4536(lit.)
Flash point: 154 °F · 154 °F
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
pka: 13 · 13.00±0.10(Predicted)
color: Colorless to Light orange to Yellow
Water Solubility: It is soluble in water.
BRN: 1736274 · 1736274
InChI: 1S/C6H10O/c1-2-3-4-5-6-7/h7H,2-3,6H2,1H3
InChIKey: BTDWSZJDLLLTMI-UHFFFAOYSA-N
SMILES: CCCC#CCO
CAS DataBase Reference: 764 · 764-60-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: 1987
hs_code: 29052900
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 36/37/39
hazard_class: 3
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H302
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: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P501

Chemistry & industry

Applications

Uses2-Hexyn-1-ol, is an important organic primary and secondary intermediate. It can be used in Pharmaceuticals, Agrochemicals and Dyestuff industry. It also acts as a chemical solvent in fine chemicals