Basic information
- CAS
64519-44-4- Standard SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CCC(=O)N1- InChIKey
SLHPMAOXNSLXEH-MROQNXINSA-N- Molecular formula
- C15H25NO3
- Average molar mass
- 267.36 g/mol
- Monoisotopic mass
- 267.18344366
Names & identifiers
- Preferred name
- L-Proline, 5-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
- IUPAC
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-5-oxopyrrolidine-2-carboxylate
- English name
- (1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl 5-oxo-L-prolinate
- Molecular formula
- C15H25NO3
- Molecular weight
- 267.36
Names & synonyms
64519-44-4L-Proline, 5-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl esterUNII-C7ZIB25BE7C7ZIB25BE7(-)-Menthyl (-)-2-pyrrolidone-5-carboxylateEINECS 264-935-8(-)Menthyl 2-pyrrolidone-5-carboxylateMenthyl pyrrolidone carboxylate, (-),L-(-)-MENTHYL L-PIDOLATE(-)Menthyl (-)-2-pyrrolidone-5-carboxylateDTXSID80886687(-)-MENTHYL L-PYROGLUTAMATE
Show more names
MENTHYL PCAQUESTICELIQUIDMENTHYLPYRROLIDONECARBOXYLATEPyroglutamic acid menthyl ester(1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl 5-oxo-L-prolinate5-Oxo-L-proline (1R)-5β-methyl-2α-(1-methylethyl)cyclohexyl ester[1R-(1α,2β,5α)]-2-isopropyl-5- methylcyclohexyl 5-oxo-L-prolinate(1R,2S,5R)-5-methyl-2-isopropylcyclohexyl5-oxy-L-prolineaminoacidester(1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl 5-oxo-L-prolinate MENTHYL PCA
MENTHYL PYROGLUTAMATE, (-),L-(-)-MENTHYL L-PYRROLIDONE CARBOXYLATEMENTHYL PYRROLIDONE CARBOXYLATE, (-)-MENTHYL PYRROLIDONE CARBOXYLATE, L-(-)-((1R,2S,5R)-2-ISOPROPYL-5-METHYL-CYCLOHEXYL) (2S)-5-OXOPYRROLIDINE-2-CARBOXYLATEL-PROLINE, 5-OXO-, 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL ESTER, (1R-(1.ALPHA.,2.BETA.,5.ALPHA.))-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-5-oxopyrrolidine-2-carboxylateRefChem:151937
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Density
- 1.064 · 1.064[at 20℃]
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- Water Solubility
- 622.5 mg/L · 622.5mg/L at 20℃
- Cosmetics Ingredients Functions
- HUMECTANTSKIN CONDITIONING
- LogP
- 3.13 at · 3.13 at 22℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 ZIB25BE7 · C7ZIB25BE7
- EPA Substance Registry System
- -2 · (-)-Menthyl (-)-2-pyrrolidone-5-carboxylate (64519-44-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H412
- Precautionary statements
- 273 · P273-P305+P351+P338
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 50% (1 of 2) of reports.
Warning
H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: L-Proline, 5-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
REACH registered substance: [1R-(1α,2β,5α)]-2-isopropyl-5-methylcyclohexyl 5-oxo-L-prolinate (EC: 264-935-8)
L-Proline, 5-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationL-Proline, 5-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester: ACTIVE
Applications
Uses(1R,2S,5R)-5-METHYL-2-ISOPROPYLCYCLOHEXYL 5-OXO-L-PROLINATE (cas# 64519-44-4) is a compound used in formulations for preventing and treating skin irritation (1).
Suppliers59 total
北京华美互利生物化工010-56205725 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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