Methyl diisopropyl propionamide
Basic information
- CAS
51115-67-4- Standard SMILES
CNC(=O)C(C)(C(C)C)C(C)C- InChIKey
RWAXQWRDVUOOGG-UHFFFAOYSA-N- Molecular formula
- C10H21NO
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.16231429
Overview
N,2,3-Trimethyl-2-(1-methylethyl)butanamide is a fatty amide.
Names & identifiers
- Preferred name
- Methyl diisopropyl propionamide
- IUPAC
- N,2,3-trimethyl-2-propan-2-ylbutanamide
- English name
- 2-Isopropyl-N,2,3-trimethylbutyramide
- Molecular formula
- C10H21NO
- Molecular weight
- 171.28
Names & synonyms
51115-67-42-Isopropyl-N,2,3-trimethylbutanamide2-Isopropyl-N,2,3-trimethylbutyramideMethyl diisopropyl propionamideWS-23N,2,3-trimethyl-2-propan-2-ylbutanamideN,2,3-Trimethyl-2-isopropylbutanamideTrimethyl isopropyl butanamideN,2,3-Trimethyl-2-(1-methylethyl)butanamideButanamide, N,2,3-trimethyl-2-(1-methylethyl)-N,2,3-trimethyl-2-(propan-2-yl)butanamideFEMA NO. 3804
Show more names
FEMA 3804N,2,3-Trimethyl-2-isopropylbutanamide,WS-233-trimethylbutyramidemethyldiisopropylpropionamide
6QOP5A9489WS 23EINECS 256-974-4DTXSID401991242-ISOPROPYL-N,2,3-TRIMETHYLBUTYRAMIDE [FHFI]TRIMETHYL ISOPROPYL BUTANAMIDE [MI]RefChem:817726DTXCID70121615
Database identifiers
- CAS
51115-67-4- PubChem CID
- 65300
- DTXSID
DTXSID40199124- ChEBI
CHEBI:169004- UNII
- 6QOP5A9489
- EC Number
- 256-974-4
- Nikkaji
- J261.643B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amines [FA0802]
CosmeticsMasking
FragrancesFragrance Ingredient (2-Isopropyl-N,2,3-trimethylbutyramide) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water and fats; Soluble in diethyl ether, and hydrocarbons
Soluble (in ethanol)
Boiling Point233.00 to 234.00 °C. @ 760.00 mm Hg
Melting Point56 - 64 °C
Physical Description
Solid
White crystalline solid; Cool minty aroma
Physicochemical properties
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
This chemical does not meet GHS hazard criteria for 2.5% (36 of 1455) of reports.
Warning
H302 (97.5%): 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 1455 reports by companies from 7 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Butanamide, N,2,3-trimethyl-2-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-isopropyl-N,2,3-trimethylbutyramide (EC: 256-974-4)
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 29242990
- risk_code
- 36/37/38-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H302
- REACH Registrations
- Active
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain Methyl diisopropyl propionamide in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Masking
General Manufacturing InformationButanamide, N,2,3-trimethyl-2-(1-methylethyl)-: ACTIVE
Applications
Description2-isopropyl-N,2,3-trimethylbutyramide is one nearly odorless white crystalline powder widely used as a coolant in medicinal preparations, oral care products, foodstuffs, cosmetics, and confection-eye products. It is an artificial synthesis cooling agent and could be synthesized by the Ritter reaction of 2,2-diisopropylpropionitrile (DIPPN) with methanol in the presence of acid. Compared with menthol, WS-23 is characterized by a continuous and long-lasting cooling and refreshing effect with no side effects of burning or stinging sensations. As an important additive in menthol cigarettes, WS-23 can cover up the bitter and astringent taste of cigarettes, make the cigarette feel fresh, improve the coordination and softness of cigarette smoke, and reduce the thorn in the mouth and throat. WS-23 is also compatible with other flavors and cooling agents[1].
Uses2-Isopropyl-N,2,3-trimethylbutanamide is flavored compound and comprising the recount flavored compound for electronic cigarette liquid.
UsesPhysiological coolant in foods, beverages, tobacco products, toiletries, cosmetics and pharmaceuticals.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…