Basic information
- CAS
179911-08-1- Standard SMILES
CCC(=O)N(CC)c1cccc(C)c1- InChIKey
DSYVYGLBPDTBKH-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101416
Overview
See also: Agarbois (annotation moved to); N-ethyl-N-(3-methylphenyl) propionamide (annotation moved to).
Names & identifiers
- Preferred name
- Propanamide, N-ethyl-N-(3-methylphenyl)-
- IUPAC
- N-ethyl-N-(3-methylphenyl)propanamide
- English name
- ALICATE
- Molecular formula
- C12H17NO
- Molecular weight
- 191.272
Names & synonyms
Propanamide, N-ethyl-N-(3-methylphenyl)-N-Ethyl-N-(3-methylphenyl)propionamideDTXSID80870147RefChem:868787DTXCID20817955423-640-6179911-08-1n-ethyl-n-(3-methylphenyl)propanamideSCHEMBL3871929SCHEMBL30074142AKOS006228894NS00010094
Show more names
ALICATE
Database identifiers
- CAS
179911-08-1- PubChem CID
- 44150680
- DTXSID
DTXSID80870147- EC Number
- 423-640-6
- Nikkaji
- J2.596.319I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
FragrancesFragrance Ingredient (N-Ethyl-N-(3-methylphenyl)propionamide) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 273.85 · 273.85-274℃ at 101.01kPa
- Density
- 0.992 at · 0.992 at 20℃
- vapor pressure
- 0.1 Pa · 0.1Pa at 20℃
- form
- Liquid
- LogP
- 2.03 at · 2.03 at pH9.1
- Surface tension
- 54.5 mN/m · 54.5mN/m at 1.11g/L and 21℃
- EPA Substance Registry System
- Propanamide, N-ethyl-N-(3-methylphenyl)- (179911-08-1)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H412-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1325 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: N-ethyl-N-(3-methylphenyl)propionamide (EC: 423-640-6)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H412-H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P501
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Propanamide, N-ethyl-N-(3-methylphenyl)- in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationPropanamide, N-ethyl-N-(3-methylphenyl)-: ACTIVE
Suppliers2 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
Related reactions
2 records
Compound notes
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