2,7-Dimethylocta-3,5-diyne-2,7-diol
Basic information
- CAS
5929-72-6- Standard SMILES
CC(C)(O)C#CC#CC(C)(C)O- InChIKey
CKVWIEREOYIKNC-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 2,7-Dimethylocta-3,5-diyne-2,7-diol
- IUPAC
- 2,7-dimethylocta-3,5-diyne-2,7-diol
- English name
- 2,7-DIMETHYL-3,5-OCTADIYN-2,7-DIOL
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
2,7-Dimethylocta-3,5-diyne-2,7-diol3,5-Octadiyne-2,7-diol, 2,7-dimethyl-AI3-23409EINECS 227-670-9DTXSID10208015NSC 14256RefChem:445989DTXCID30130506227-670-95929-72-62,7-Dimethyl-3,5-octadiyn-2,7-diolMFCD00004469
Show more names
AKOS B029862TIMTEC-BB SBB0087622,7-DIMETHYL-3,5-OCTADIENE 2,7-DIOLEINECS 227-669-3,Allyltriacetoxysilane,Triacetoxy-allyl-silan,triacetoxyallylsilane,allylsilanetriyl triacetate2,7-DIMETHYL-3,5-OCTADIYN-2,7-DIOL, 96%2,7-DIMETHYL-3,5-OCTADIYN-2,7-DIOL, 96%2,7-DIMETHYL-3,5-OCTADIYN-2,7-DIOL, 96%
NSC-142562,7-Dimethyloctadiyne-3,5-diol-2,72,7-Dimethyl-octa-3,5-diyne-2,7-diol2,7-Dimethyl-3,5-octadiyne-2,7-diolNSC14256SCHEMBL4179333,7-diol, 2,7-dimethyl-4E845YBU79
Database identifiers
- CAS
5929-72-6- PubChem CID
- 80036
- DTXSID
DTXSID10208015- UNII
- 4E845YBU79
- EC Number
- 227-670-9
- Nikkaji
- J60.711H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 132 · 132-134 °C(lit.)
- CAS DataBase Reference
- 5929 · 5929-72-6(CAS DataBase Reference)
- FDA UNII
- 4 E845YBU79 · 4E845YBU79
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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 40 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2,7-Dimethyl-3,5-octadiyn-2,7-diol is used in the preparation of diacetylenic derived compounds related to the natural product falcarindiol.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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