4-Methylcaprolactam supplier

Name
4-Methyl-ε-caprolactam
EINECS
CAS No. 3623-05-0
Article Data10
CAS DataBase
Density 0.93 g/cm³
Solubility
Melting Point
Formula C₇H₁₃NO
Boiling Point 269.3 °C at 760 mmHg
Molecular Weight 127.18422
Flash Point 150.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2H-Azepin-2-one, hexahydro-4-methyl-;alpha-Methylhexanone isoxime;beta-Methylcaprolactam;4-methylazepan-2-one;alpha-Methylhexanonisoxim [German];HEXAHYDRO-4-METHYL-2H-AZEPIN-2-ONE;
PSA 32.59000
LogP 1.19850

4-Methylcaprolactam Specification

The 4-Methylcaprolactam, with the CAS registry number 3623-05-0, is also known as beta-Methylcaprolactam. This chemical's molecular formula is C₇H₁₃NO and molecular weight is 127.18422. Its IUPAC name is called 4-methylazepan-2-one.

Physical properties of 4-Methylcaprolactam: (1)ACD/LogP: 0.17; (2)ACD/LogD (pH 5.5): 0.17; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.4; (7)ACD/KOC (pH 7.4): 29.4; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.437; (11)Molar Refractivity: 35.85 cm³; (12)Molar Volume: 136.7 cm³; (13)Surface Tension: 27.1 dyne/cm; (14)Density: 0.93 g/cm³; (15)Flash Point: 150.7 °C; (16)Enthalpy of Vaporization: 50.74 kJ/mol; (17)Boiling Point: 269.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00733 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CCCNC(=O)C1
(2)InChI: InChI=1S/C7H13NO/c1-6-3-2-4-8-7(9)5-6/h6H,2-5H2,1H3,(H,8,9)
(3)InChIKey: SUXWXEJDQZBDNL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	subcutaneous	230mg/kg (230mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903.

Product Name

4-Methyl-ε-caprolactam

4-Methylcaprolactam Specification

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