Benzenepropanenitrile, 4-methoxy-

HCID 519953

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Basic information

CAS: 22442-48-4
Standard SMILES: COc1ccc(CCC#N)cc1
InChIKey: ORAXBZFDDWPRRD-UHFFFAOYSA-N
Molecular formula: C10H11NO
Average molar mass: 161.2 g/mol
Monoisotopic mass: 161.08406397

Names & identifiers

Preferred name: Benzenepropanenitrile, 4-methoxy-
IUPAC: 3-(4-methoxyphenyl)propanenitrile
English name: 3-(4-Methoxyphenyl)propionitrile
Molecular formula: C10H11NO
Molecular weight: 161.2

Names & synonyms

3-(4-Methoxyphenyl)propionitrilep-Methoxyhydrocinnamonitrile4-MethoxybenzenepropanenitrileBRN 2090556Benzenepropanenitrile, 4-methoxy-beta-(4-Methoxyphenyl)propionitrile.beta.(p-Methoxyphenyl)propionitrileDTXSID701769834-10-00-00638 (Beilstein Handbook Reference)RefChem:325113DTXCID7099474beta(p-Methoxyphenyl)propionitrile

Show more names

p-methoxy-hydrocinnamonitril4-methoxy-benzenepropanenitril3-(4-Methoxyohenyl)propionitrileB-(P-METHOXYPHENYL)PROPIONITRILE3-(P METHOXYPHENYL)PROPIONITRILEβ-(p-Methoxyphenyl)propionitrile

Benzenepropanenitrile, 4-methoxy-(9CI)ORAXBZFDDWPRRD-UHFFFAOYSA-N22442-48-43-(4-Methoxyphenyl)propanenitrile3-(p-Methoxyphenyl)propionitrileMFCD000164044-Methoxy-BenzenepropanenitrileHydrocinnamonitrile, p-methoxy-

Database identifiers

CAS: 22442-48-4
PubChem CID: 519953
DTXSID: DTXSID70176983
EC Number: 674-115-5
Nikkaji: J1.318.878E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 33 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 162

Physicochemical properties

Boiling point: 105 °C · 105°C 1mm
Density: 1 · 1,05 g/cm3
storage temp.: 2 · 2-8°C
CAS DataBase Reference: 22442 · 22442-48-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT, IRRITANT-HARMFUL

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT, IRRITANT-HARMFUL
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501