4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile
Basic information
- CAS
6965-79-3- Standard SMILES
Cc1ccc(C(CCC#N)OC(C)C)cc1- InChIKey
AFVNASUMPFJDPV-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Names & identifiers
- Preferred name
- 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile
- IUPAC
- 4-(4-methylphenyl)-4-propan-2-yloxybutanenitrile
- English name
- 4-methyl-gamma-(1-methylethoxy)benzenebutyronitrile
- Molecular formula
- C14H19NO
- Molecular weight
- 217.30676
Names & synonyms
DTXSID901243448RefChem:5254144-Methyl-gamma-(1-methylethoxy)benzenebutanenitrileDTXCID708762946965-79-34-Methyl-gamma-(1-methylethoxy)benzenebutyronitrile4-(4-methylphenyl)-4-(propan-2-yloxy)butanenitrileEINECS 230-174-54-(4-Methylphenyl)-4-[(propan-2-yl)oxy]butanenitrile4-(4-methylphenyl)-4-propan-2-yloxybutanenitrileNSC63377B9A9ZH5LAJ
Show more names
4-Methyl-γ-(1-methylethoxy)benzenebutanenitrile4-methyl-γ-(1-methylethoxy)benzenebutyronitrileBenzenebutanenitrile, 4-methyl-γ-(1-methylethoxy)-
DTXSID80275936NSC 63377NSC-63377AKOS024323037NS000444594-ISOPROPOXY-4-(P-TOLYL)-BUTYRONITRILE4-Methyl-I(3)-(1-methylethoxy)benzenebutanenitrileBenzenebutanenitrile,4-methyl-gamma-(1-methylethoxy)-
Database identifiers
- CAS
6965-79-3、7154-61-2- PubChem CID
- 97975
- DTXSID
DTXSID80275936- UNII
- B9A9ZH5LAJ
- EC Number
- 230-174-5
- Nikkaji
- J266.011C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- 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 38 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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