Basic information
- CAS
19780-84-8- Standard SMILES
C#CCC(O)CC- InChIKey
AJYGRAORQSCNED-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 5-Hexyn-3-ol
- IUPAC
- hex-5-yn-3-ol
- English name
- 5-HEXYN-3-OL
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
5-Hexyn-3-olhex-5-yn-3-ol19780-84-81-Hexyn-4-olEINECS 243-304-0NSC 244897DTXSID60885097RefChem:536114DTXCID60835279243-304-0MFCD000415934-Hydroxy-1-hexyne
Show more names
5-Hexyn-3-ol>5-Hexyn-3-ol 97%5-HEXYN-3-OL, 98+%Ethyl propargyl carbinol~1-Hexyn-4-ol5-HEXYN-3-OL, 98%5-HEXYN-3-OL, 98%5-HEXYN-3-OL, 98%
4-hydroxy-1hexyneNSC244897Ethyl propargyl carbinol5-Hexyn-3-ol, 97%SCHEMBL487643SCHEMBL711393SCHEMBL3226124SCHEMBL19384643
Database identifiers
- CAS
19780-84-8- PubChem CID
- 89223
- DTXSID
DTXSID60885097- EC Number
- 243-304-0
- Nikkaji
- J123.978C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 77.4
Physicochemical properties
- Melting point
- -34 °C · -34°C (estimate)
- Boiling point
- 73 · 73-76°C 60mm
- Density
- 0.886 g/mL · 0.886 g/mL at 25 °C
- refractive index
- 1.443 · 1.4430
- Flash point
- 21 °C · 21°C
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- 14.29 · 14.29±0.20(Predicted)
- color
- Colorless to Light orange to Yellow
- BRN
- 1698904 · 1698904
- InChI
- 1S/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3
- InChIKey
- AJYGRAORQSCNED-UHFFFAOYSA-N
- SMILES
- CCC(O)CC#C
- EPA Substance Registry System
- 5 · 5-Hexyn-3-ol (19780-84-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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
Danger
H226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 118 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 (99.2%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1987
- hs_code
- 29052900
- risk_code
- 36/37/38-41-22-10
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Hexyn-3-ol: INACTIVE
Suppliers39 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [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]
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]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA
Related reactions
26 records
Compound notes
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