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N-Methylcaprolactam

N-Methylcaprolactam structure

CAS No:
2556-73-2
Formula:
C7H13NO
Chemical Name:
N-Methylcaprolactam
Synonyms:
2H-Azepin-2-one,hexahydro-1-methyl-;Hexamethylenimine,1-methyl-2-oxo-;Hexahydro-1-methyl-2H-azepin-2-one;N-Methylcaprolactam;N-Methyl-ε-caprolactam;1-Methylcaprolactam;1-Methylhexahydro-2H-azepin-2-one;1-Methylazacycloheptan-2-one;N-Methyl-6-caprolactam;NSC 68794;Hexahydro-1-methyl-2H-azepin-2-one;1-Methylazepan-2-one;1-Methyl-2-azepanone
Categories:
Organic Chemistry > Amides

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Description

clear colorless to light yellow liquid

N-methylcaprolactam is a member of caprolactams.

N-Methylcaprolactam Basic Attributes

Molecular Weight：

127.18

Exact Mass：

127.18

EC Number：

219-874-1

UNII：

MW0A52H6M8

NSC Number：

68794

DSSTox ID：

DTXSID3074656

HScode：

2933790090

Characteristics

PSA：

20.3

XLogP3：

0.2

Appearance：

clear colorless liquid

Density：

1.0±0.1 g/cm3

Boiling Point：

104-106 °C @ Press: 11 Torr

Flash Point：

218 °F

Refractive Index：

1.460

Water Solubility：

Fully miscible with water.

Vapor Pressure：

0.0252mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38-21/22

safety instructions：

26-37/39-36/37/39

RTECS Number：

CM4025000

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

N-Methylcaprolactam Use and Manufacturing

Methods of Manufacturing

Derived from the reaction of caprolactam and dimethyl sulfate. The caprolactam was dissolved in benzene, heated to reflux, and dimethyl sulfate was added dropwise with stirring. After the addition, the reaction was refluxed for 16 hours, cooled, washed with 50% potassium carbonate solution, and the upper organic layer was separated and dried with anhydrous calcium chloride overnight. After the calcium chloride is filtered out, benzene is evaporated under normal pressure, and N-methyl caprolactam is collected by distillation under reduced pressure after drought. The yield was 68.8%.

Uses

Used as pharmaceutical intermediate

Computed Properties

Molecular Weight:127.18
XLogP3:0.2
Hydrogen Bond Acceptor Count:1
Exact Mass:127.099714038
Monoisotopic Mass:127.099714038
Topological Polar Surface Area:20.3
Heavy Atom Count:9
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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N-Methylcaprolactam

CAS No.: 2556-73-2

Content: 99.00%

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Hangzhou Bais Chemical Technology Co., Ltd Contact Supplier

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N-Methylcaprolactam Industrial Grade

CAS No.: 2556-73-2

Grade: Industrial Grade

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