Basic information
- CAS
5327-02-6- Standard SMILES
CCCCCCOCCC#N- InChIKey
CVGVUZQHVVQSRO-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- 3-(Hexyloxy)propiononitrile
- IUPAC
- 3-hexoxypropanenitrile
- English name
- 3-(hexyloxy)propiononitrile
- Molecular formula
- C9H17NO
- Molecular weight
- 155.23738
Names & synonyms
5327-02-63-(Hexyloxy)propanenitrile3-(Hexyloxy)propiononitrilePropanenitrile, 3-(hexyloxy)-DTXSID80201391NSC 4098EINECS 226-208-3AI3-17914RefChem:495250DTXCID80123882226-208-32-Cyanoethyl hexyl ether
Show more names
3-Hexyloxypropionitrile2-Cyanoethylhexyl ether
3-hexoxypropanenitrile3-(Hexyloxy)propionitrilePropionitrile, 3-(hexyloxy)-3-HexyloxypropiononitrileNSC4098(beta-cyanoethoxy)hexane3-(hexyloxy)-propionitrile3-(Hexyloxy)propanenitrile #
Database identifiers
- CAS
5327-02-6- PubChem CID
- 79229
- DTXSID
DTXSID80201391- EC Number
- 226-208-3
- Nikkaji
- J110.011D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302-H319-H335-H332-H315
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H302-H319-H335-H332-H315
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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