Non-2-yn-1-ol

HCID 80017

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Basic information

CAS: 5921-73-3
Standard SMILES: CCCCCCC#CCO
InChIKey: XERDOEKKHDALKJ-UHFFFAOYSA-N
Molecular formula: C9H16O
Average molar mass: 140.22 g/mol
Monoisotopic mass: 140.12011513

Names & identifiers

Preferred name: Non-2-yn-1-ol
IUPAC: non-2-yn-1-ol
English name: 2-Nonyn-1-ol
Molecular formula: C9H16O
Molecular weight: 140.22

Names & synonyms

Non-2-yn-1-ol2-Nonyn-1-ol5921-73-3AI3-37269EINECS 227-646-8DTXSID00207956RefChem:854438DTXCID50130447227-646-8MFCD000415661-Hydroxy-2-nonyne2-nonyne-1-ol

Show more names

2-nonylyne-1-ol2-NONYN-1-OL 98%2-NONYN-1-OL, 98%,TIMTEC-BB SBB0091442-NONYN-1-OL, 98%2-NONYN-1-OL, 98%2-NONYN-1-OL, 98%

2-Nonyn- 1-ol85VPA8DTH2SCHEMBL1537174SCHEMBL5055988SCHEMBL9361044SBB009144AKOS006230207AS-76152

Database identifiers

CAS: 5921-73-3
PubChem CID: 80017
DTXSID: DTXSID00207956
UNII: 85VPA8DTH2
EC Number: 227-646-8
Nikkaji: J126.448F

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 115

Physicochemical properties

Melting point: -16 °C · -16°C(lit.)
Boiling point: 109 · 109-111°C 11mm
Density: 0 · 0,873 g/cm3
refractive index: 1.456 · 1.4560
Flash point: 109 · 109-111°C/11mm
storage temp.: 2 · 2-8°C
solubility: Chloroform, Methanol (Slightly)
form: clear liquid
pka: 13.2 · 13.20±0.10(Predicted)
color: Colorless to Light yellow to Light orange
Water Solubility: Not miscible in water.
BRN: 1745753 · 1745753
CAS DataBase Reference: 5921 · 5921-73-3(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Safety Statements: 24 · 24/25
RIDADR: 1987 · UN 1987 3/PG III
HS Code: 2905.29 · 2905.29.9000
HazardClass: 3 · 3
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)

Safety data

ridadr: UN 1987 3/PG III
hs_code: 2905.29.9000
Signal word: Warning
Symbol(GHS): GHS02
safety_code: 24/25
hazard_class: 3
packing_group: III
Hazard statements: H226
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235