Basic information
- CAS
1002-28-4- Standard SMILES
CCC#CCCO- InChIKey
ODEHKVYXWLXRRR-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 3-Hexyn-1-ol
- IUPAC
- hex-3-yn-1-ol
- English name
- 3-HEXYN-1-OL
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
3-Hexyn-1-olhex-3-yn-1-ol3-Hexynol3-Hexyne-1-olX07KYI4GTHEINECS 213-685-8UNII-X07KYI4GTHAI3-37258DTXSID4061385RefChem:94039DTXCID6032481InChI=1/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H
Show more names
3-Hexyn-1-ol>3-Hexyn-1-ol 98%3-Hexyn-1-ol, 98 %3-Hexyn-1-ol, 98% 5ML3-HEXYN-1-OL, 98%3-HEXYN-1-OL, 98%3-HEXYN-1-OL, 98%
ODEHKVYXWLXRRR-UHFFFAOYSA-N1002-28-4MFCD000029573-Hexyn-1-ol, 98%SCHEMBL487224SCHEMBL712789SCHEMBL7369881AKOS015839483
Database identifiers
- CAS
1002-28-4- PubChem CID
- 66083
- DTXSID
DTXSID4061385- UNII
- X07KYI4GTH
- EC Number
- 213-685-8
- Nikkaji
- J27.940D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 82.8
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -34 °C · -34°C (estimate)
- Boiling point
- 63 · 63-64 °C12 mm Hg(lit.)
- Density
- 0.898 g/mL · 0.898 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.454(lit.)
- Flash point
- 146 °F · 146 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- 14.35 · 14.35±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 0.898 · 0.898
- BRN
- 1735911 · 1735911
- InChI
- InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3
- InChIKey
- ODEHKVYXWLXRRR-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 3-Hexyn-1-ol
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29052990
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Hexyn-1-ol: ACTIVE
Applications
Uses3-Hexyn-1-ol is an unsaturated alcohol that, when subjected to stereoselective hydrogenation, produces cis-3-Hexen-1-ol (H295005), a compound that is important in the fragrance industry. 3-Hexyn-1-ol also exhibits antifungal properties against Aspergillus oryzae, a fungus that is used to produce fermented foods and beverages in Japan.
General DescriptionThe stereoselective hydrogenation of 3-hexyn-1-ol was studied. Poly(N-vinyl-2-pyrrolidone)-stabilized Pd-nanoclusters showed an extraordinary catalytic performance in the selective hydrogenation of 3-hexyn-1-ol.
Upstream & downstream products
Downstream products
Suppliers71 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Related reactions
34 records
Compound notes
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