Basic information
- CAS
109-50-2- Standard SMILES
CCC#CC(C)O- InChIKey
IFCAMPHNVKBSTF-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 3-Hexyn-2-ol
- IUPAC
- hex-3-yn-2-ol
- English name
- 3-Hexyn-2-ol
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
3-HEXYN-2-OL109-50-2EINECS 203-676-7DTXSID00875614RefChem:94040DTXCID401013735IFCAMPHNVKBSTF-UHFFFAOYSA-Nhex-3-yn-2-olMFCD00041586hexyne-2-ol3-Hexyn-2-ol, 97%SCHEMBL130181
Show more names
3-Hexyne-2-ol3-HEXYLTHIOPHENE1-Butynyl ethyl carbinol1-BUTYNYL METHYL CARBINOL
SCHEMBL709722SCHEMBL709723SBB067141AKOS015901306SY346005DB-040872NS00041439E85509
Database identifiers
- CAS
109-50-2- PubChem CID
- 7990
- DTXSID
DTXSID00875614- EC Number
- 203-676-7
- Nikkaji
- J126.483D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 93.2
Physicochemical properties
- Melting point
- -34 °C · -34°C (estimate)
- Boiling point
- 80 °C · 80°C
- Density
- 0.909 g/mL · 0.909 g/mL at 25 °C
- refractive index
- 1.447 · 1.447
- Flash point
- 128 °F · 128°F
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- BRN
- 1739390 · 1739390
- InChI
- 1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3
- InChIKey
- IFCAMPHNVKBSTF-UHFFFAOYSA-N
- SMILES
- CCC#CC(C)O
- CAS DataBase Reference
- 109 · 109-50-2(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · 3-Hexyn-2-ol (109-50-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS09
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1987
- risk_code
- 10-50
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS09
- hazard_code
- N
- safety_code
- 61
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H400
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Hexyn-2-ol: ACTIVE
Applications
Uses3-Hexyn-2-ol is used in the synthesis of highly substituted furans in addition to being used in the preparation of phosphorofluidic acid ammonium salts.
Suppliers28 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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