CAS 14916-80-4 3-Octyn-1-ol (HCID 84694)

Names & identifiers

Preferred name: 3-Octyn-1-ol
IUPAC: oct-3-yn-1-ol
English name: 3-Octyn-1-ol
Molecular formula: C8H14O
Molecular weight: 126.2

Names & synonyms

3-Octyn-1-oloct-3-yn-1-olPJK55CL7Z5EINECS 238-986-1NSC 67251NSC-67251AI3-07044DTXSID8065828RefChem:95195DTXCID2034833LRZGRGVRZSDRTK-UHFFFAOYSA-N14916-80-4

Show more names

octynol1-octylne-3-ol3-Octyn-1-ol>3-Octyn-1-ol,98%3-OCTYN-1-OL 98%TIMTEC-BB SBB0091063-Octyn-1-ol CAS NO.14916-80-4

MFCD000395523-octyne-1-ol1-Hydroxyoctin-(3)UNII-PJK55CL7Z53-Octyn-1-ol,98%3-Octyn-1-ol, 97%SCHEMBL487757SCHEMBL5056447

Database identifiers

CAS: 14916-80-4
PubChem CID: 84694
DTXSID: DTXSID8065828
UNII: PJK55CL7Z5
EC Number: 238-986-1
Nikkaji: J126.452D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 104

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -39 °C · -39°C (estimate)
Boiling point: 86 · 86-88 °C (9 mmHg)
Density: 0.88 g/mL · 0.880 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4569(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Storage temp. 2-8°C
pka: 14.34 · 14.34±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow to Light orange
Water Solubility: It is soluble in water.
BRN: 1739950 · 1739950
InChI: 1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-4,7-8H2,1H3
InChIKey: LRZGRGVRZSDRTK-UHFFFAOYSA-N
SMILES: CCCCC#CCCO
CAS DataBase Reference: 14916 · 14916-80-4(CAS DataBase Reference)
FDA UNII: 55 CL7Z5 · PJK55CL7Z5
EPA Substance Registry System: 3 · 3-Octyn-1-ol (14916-80-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-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
WGK Germany: 3 · 3
RTECS: 238 · 238-986-1
TSCA: TSCA listed
HS Code: 29052900 · 29052900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: 238-986-1
hs_code: 29052900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3-Octyn-1-ol: ACTIVE

Applications · 3 items

Uses3-Octyn-1-ol, is used for a study of the reduction of acetylenic compounds, including this alcohol, to (E)-alkenes by alkali metals in liquid ammonia. Some other applications includes as corrosion inhibitor formulation, metal complex solution, solvent stabilizer, biodegradable chemical intermediate to make pharmaceuticals, chemical compound synthesis and reagents

Uses3-Octyn-1-ol may be used in the preparation of:(3Z)-octen-1-ol7-octyn-1-ol3-cis-octenoic acid

General Description3-Octyn-1-ol is a homopropargylic alcohol that can be prepared from 3-butyn-1-ol and 1-bromobutane.