Basic information
- CAS
20739-59-7- Standard SMILES
CC#CC(O)CC- InChIKey
KARLLBDFLHNKBO-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 4-Hexyn-3-ol
- IUPAC
- hex-4-yn-3-ol
- English name
- 4-HEXYN-3-OL
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
4-Hexyn-3-ol20739-59-7RefChem:99110626-036-2KARLLBDFLHNKBO-UHFFFAOYSA-Nhex-4-yn-3-olMFCD000415911-Pentyn-3-ol, methyl-4-Hexyn-3-ol, 97%SCHEMBL127412SCHEMBL710839SCHEMBL710840
Show more names
Ethyl 1-propynyl carbinol4-HEXYN-3-OL, 98%4-HEXYN-3-OL, 98%4-HEXYN-3-OL, 98%
DTXSID20942953AKOS015969207AS-56423DA-08365CS-0336493
Database identifiers
- CAS
20739-59-7- PubChem CID
- 140751
- DTXSID
DTXSID20942953- EC Number
- 626-036-2
- Nikkaji
- J435.905D
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
- 93.2
Physicochemical properties
- Melting point
- -34 °C · -34°C (estimate)
- Boiling point
- 95 °C · 95°C 105mm
- Density
- 0 · 0,894 g/cm3
- refractive index
- 1.45 · 1.4500
- Flash point
- 94 · 94-95°C/105mm
- pka
- 13.21 · 13.21±0.20(Predicted)
- BRN
- 1739392 · 1739392
- Symbol(GHS)
- 2 · GHS02
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P240-P241-P280a-P303+P361+P353-P501a
- Hazard Codes
- Xn,N
- Risk Statements
- 10 · 10-50/53-22
- Safety Statements
- 23 · 23-24/25-61-60
- RIDADR
- 1987 · 1987
- HazardClass
- 3 · 3
- PackingGroup
- III
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, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, 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 2 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
- ridadr
- 1987
- risk_code
- 10-50/53-22
- Symbol(GHS)
- GHS02
- hazard_code
- Xn,N
- safety_code
- 23-24/25-61-60
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P240-P241-P280a-P303+P361+P353-P501a
Chemistry & industry
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海鑫矽新材料有限公司13585834793 13660927110 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…