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N-Octylpyrrolidone

N-Octylpyrrolidone structure

CAS No:
2687-94-7
Formula:
C12H23NO
Chemical Name:
N-Octylpyrrolidone
Synonyms:
2-Pyrrolidinone,1-octyl-;1-Octyl-2-pyrrolidinone;N-Octylpyrrolidone;N-Octyl-2-pyrrolidone;Surfadone LP 100;N-Octylpyrrolidinone;N-Octyl-2-pyrrolidinone;AgsolEx 8;N-Octylbutyrolactam;1-Octyl-2-pyrrolidone;ISP-LP 100;N-n-Octyl-α-pyrrolidone;LP 100;N-n-Octyl-2-pyrrolidone;Flexidone 100
Categories:
Cosmetic Ingredient > Hair Conditioning

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Description

Colorless or slightly yellow clear liquid

Liquid

N-Octylpyrrolidone Basic Attributes

Molecular Weight：

197.32

Exact Mass：

197.32

EC Number：

403-700-8

DSSTox ID：

DTXSID4036435

HScode：

2933790090

Characteristics

PSA：

20.3

XLogP3：

3.2

Appearance：

Liquid

Density：

0.92 g/cm³

Melting Point：

-25 °C

Boiling Point：

170-172 °C @ Press: 15 Torr

Flash Point：

129.0±9.9 °C

Refractive Index：

1.469

Vapor Pressure：

0.000948mmHg at 25°C

Toxicity：

LD50 orl-rat: 2050 mg/kg FCTOD7 26,475,88

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

3267

wgk germany：

hazard class code：

safety instructions：

S23-S26-S36/37/39-S45-S1/2

RTECS Number：

UY5896000

Marks：

C:Corrosive;N:Dangerousfortheenvironment;

Precautionary statement(s)：

P273-P280-P305 + P351 + P338-P310

Hazard Statements：

H314-H411

GHS Classification：

|Danger|H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P391, P405, and P501|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|Aggregated GHS information provided by 482 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 327 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-octyl-2-pyrrolidone

N-Octylpyrrolidone Use and Manufacturing

Uses

Solvents (which become part of product formulation or mixture)

Agricultural products (non-pesticidal)

Production

1,000,000 - 10,000,000 lb

Manufacturing Info：

Paint and coating manufacturing|2-Pyrrolidinone, 1-octyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

EPA Safer Chemical Functional Use Classes -> Surfactants|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern|Cosmetics -> Cleansing; Foaming; Surfactant

Computed Properties

Molecular Weight:197.32
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:197.177964357
Monoisotopic Mass:197.177964357
Topological Polar Surface Area:20.3
Heavy Atom Count:14
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-Octylpyrrolidone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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N-Octylpyrrolidone

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