Basic information
- CAS
5768-10-5- Standard SMILES
OC1(C#CC#CC2(O)CCCCC2)CCCCC1- InChIKey
KJOFBMLTQUHDCL-UHFFFAOYSA-N- Molecular formula
- C16H22O2
- Average molar mass
- 246.34 g/mol
- Monoisotopic mass
- 246.16197994
Names & identifiers
- Preferred name
- 1,4-Bis(1-hydroxycyclohexyl)-1,3-butadiyne
- IUPAC
- 1-[4-(1-hydroxycyclohexyl)buta-1,3-diynyl]cyclohexan-1-ol
- English name
- 1,4-BIS(1-HYDROXYCYCLOHEXYL)-1,3-BUTADIYNE
- Molecular formula
- C16H22O2
- Molecular weight
- 246.34
Names & synonyms
5768-10-51,4-BIS(1-HYDROXYCYCLOHEXYL)-1,3-BUTADIYNECyclohexanol, 1,1'-butadiynylenedi-1,1'-ButadiynylenedicyclohexanolH52T9NIS3QCyclohexanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis-NSC 407601NSC-407601BRN 1246867DTXSID802063811,1'-(1,3-Butadiyne-1,4-diyl)bis[cyclohexanol]4-06-00-06483 (Beilstein Handbook Reference)
Show more names
1,4-DICYCLOHEXANOYLDIACETYLENE1,1’-butadiynylenedi-cyclohexano1,4-BIS(HYDROXYCYCLOHEXYL)BUTADIYNE1,1'-(1,3-Butadiyne-1,4-diyl)biscyclohexanol1,1'-(1,3-Butadiyne-1,4-diyl)bis(1-cyclohexanol)
1,1'-(1,3-BUTADIYNE-1,4-DIYL)BIS(CYCLOHEXANOL)RefChem:416393DTXCID80128872Cyclohexanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis-(9CI)637-344-1Bis(1-hydroxycyclohexyl)butadiyne1-[4-(1-hydroxycyclohexyl)buta-1,3-diynyl]cyclohexan-1-olMFCD00021401
Database identifiers
- CAS
5768-10-5- PubChem CID
- 79835
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Melting point
- 174 · 174-175°C
- BRN
- 1246867 · 1246867
- CAS DataBase Reference
- 5768 · 5768-10-5
- FDA UNII
- 52 T9NIS3Q · H52T9NIS3Q
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Safety Statements
- 22 · 22-24/25
- RTECS
- 8650000 · GV8650000
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- GV8650000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers8 total
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]
上海鑫矽新材料有限公司13585834793 13660927110 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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