Basic information
- CAS
928-90-5- Standard SMILES
C#CCCCCO- InChIKey
GOQJMMHTSOQIEI-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 5-Hexyn-1-ol
- IUPAC
- hex-5-yn-1-ol
- English name
- 5-HEXYN-1-OL
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
5-Hexyn-1-ol928-90-5Hex-5-yn-1-ol1-Hydroxy-5-hexyne6-Hydroxy-1-hexyneAI3-37259DTXSID70239148RefChem:102719DTXCID90161639618-884-7GOQJMMHTSOQIEI-UHFFFAOYSA-NInChI=1/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H
Show more names
5-hexyn-1-0l5-Hextyn-1-ol5-Hexyn-1-ol>5-HEXYN-1-OL 98%5-Hexyn-1-ol,97%5-Hexyn-1-ol, 98 %
MFCD00002980hex-5-ynol5-Hexyne-1-olAKOS009157861SY020332H06875-hexynyl alcohol5-hexyn-l-ol
Database identifiers
- CAS
928-90-5- PubChem CID
- 70234
- DTXSID
DTXSID70239148- EC Number
- 618-884-7
- Nikkaji
- J131.556K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 67.5
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -34 °C · -34°C (estimate)
- Boiling point
- 73 · 73-75 °C/15 mmHg (lit.)
- Density
- 0.89 g/mL · 0.89 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.450(lit.)
- Flash point
- 158 °F · 158 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- Liquid
- pka
- 15.05 · 15.05±0.10(Predicted)
- Specific Gravity
- 0.88 · 0.880
- color
- Colorless to pale yellow
- Water Solubility
- Slightly miscible with water.
- BRN
- 1739774 · 1739774
- InChI
- InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2
Safety & regulation
GHS classification
GHS Classification
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 49 reports by companies from 9 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
- hs_code
- 29052900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- 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
Applications
Uses5-Hexyn-1-ol is used as starting material for the preparation of terminal alkynes and lactones containing terminal alykyne groups. It is also used in the synthesis of cinnoline-fused cyclic enediyne, llycopodium alkaloids, (+)-nankakurine A and (+)-nankakurine B and 7-benzoyloxy-3-(2-nitrophenylseleno)-1,5-cyclodecadiyne.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
123 records
Compound notes
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