3-(Isodecyloxy)propanenitrile
Basic information
- CAS
2167502-93-2- Standard SMILES
CC(C)CCCCCCCOCCC#N- InChIKey
XDCQMQXLBGPTHH-UHFFFAOYSA-N- Molecular formula
- C13H25NO
- Average molar mass
- 211.34 g/mol
- Monoisotopic mass
- 211.19361442
Names & identifiers
- Preferred name
- 3-(Isodecyloxy)propanenitrile
- IUPAC
- 3-(8-methylnonoxy)propanenitrile
- English name
- 3-(isodecyloxy)propiononitrile
- Molecular formula
- C13H25NO
- Molecular weight
- 211.3437
Names & synonyms
Propanenitrile, 3-(isodecyloxy)-3-(Isodecyloxy)propanenitrile64354-92-33-Isodecoxypropionitrile3-(Isodecyloxy)propylnitrileUNII-3854CD4UX43854CD4UX4EINECS 264-840-1EC 264-840-1RefChem:92665DTXSID4028123264-840-1
Show more names
3-(Isodesyloxy)propanenitrile3-(8-Methylnonyloxy)propanenitrile
3-(Isodecyloxy)propiononitrile3-[(8-METHYLNONYL)OXY]PROPANENITRILEDTXSID20988250XDCQMQXLBGPTHH-UHFFFAOYSA-NDB-217743NS00010625Q272567442167502-93-2
Database identifiers
- CAS
2167502-93-2、64354-92-3、68584-54-3- PubChem CID
- 110608
- DTXSID
DTXSID20988250- UNII
- 3854CD4UX4
- EC Number
- 264-840-1
- Nikkaji
- J307.213D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- FDA UNII
- 3854 CD4UX4 · 3854CD4UX4
- EPA Substance Registry System
- 3 · Propanenitrile, 3-(isodecyloxy)- (64354-92-3)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
H350 (57.1%): May cause cancer [Danger Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3-(isodecyloxy)propiononitrile (EC: 264-840-1)
Hazard Classes and CategoriesCarc. 1B (57.1%)
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-(isodecyloxy)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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