Basic information
- CAS
52338-90-6- Standard SMILES
C(CC1CO1)CC1OC1CC1CO1- InChIKey
HMEICDIGPORGFI-UHFFFAOYSA-N- Molecular formula
- C10H16O3
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.10994437
Names & identifiers
- Preferred name
- 1,2:4,5:9,10-Triepoxydecane
- IUPAC
- 2-(oxiran-2-ylmethyl)-3-[3-(oxiran-2-yl)propyl]oxirane
- English name
- Decitol, 1,2:4,5:9,10-trianhydro-2,6,7,8-tetradeoxy- (9CI)
- Molecular formula
- C10H16O3
- Molecular weight
- 184.23
Names & synonyms
1,2:4,5:9,10-TriepoxydecaneRefChem:412238621-652-8Triepoxy decane1,2,4,5,9,10-Triepoxydecane52338-90-6Oxirane, 2-(oxiranylmethyl)-3-(3-oxiranylpropyl)-DECANE, 1,2:4,5:9,10-TRIEPOXY-NSC 127944AI3-61790NSC1279442-(oxiran-2-ylmethyl)-3-[3-(oxiran-2-yl)propyl]oxirane
Show more names
Decitol, 1,2:4,5:9,10-trianhydro-3,6,7,8-tetradeoxy-Decitol, 1,2:4,5:9,10-trianhydro-2,6,7,8-tetradeoxy- (9CI)
SCHEMBL44556441,4,5,9,10-TriepoxydecaneDTXSID90966722HMEICDIGPORGFI-UHFFFAOYSA-NDecane,2:4,5:9,10-triepoxy-AKOS024332934NSC-127944WLN: T3OTJ B3- BT3OTJ C1- BT3OTJ
Database identifiers
- CAS
52338-90-6- PubChem CID
- 40323
- DTXSID
DTXSID90966722- EC Number
- 621-652-8
- Nikkaji
- J581.549E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 37.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 258.19 °C · 258.19°C (rough estimate)
- Density
- 1.0655 · 1.0655 (rough estimate)
- refractive index
- 1.523 · 1.5230 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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