CAS 2687-96-9 1-Lauryl-2-pyrrolidone (HCID 62459)

概要

1-dodecylpyrrolidin-2-one is pyrrolidin-2-one substituted at nitrogen by an n-dodecyl group. It has a role as an epitope.

名称と識別子

優先名称: 1-Lauryl-2-pyrrolidone
IUPAC: 1-dodecylpyrrolidin-2-one
現地名: 1-ドデシル-2-ピロリジノン
英語名: 1-Lauryl-2-pyrrolidone
分子式: C16H31NO
分子量: 253.42

名称と別名

1-Lauryl-2-pyrrolidoneRefChem:4321501-dodecylpyrrolidin-2-one2687-96-91-DODECYL-2-PYRROLIDINONELauryl pyrrolidoneN-DodecylpyrrolidinoneN-Lauryl-2-pyrrolidone1-Dodecyl-2-pyrrolidone2-Pyrrolidinone, 1-dodecyl-n-(n-dodecyl)pyrrolidinoneN-dodecyl-2-pyrrolidone

名称をさらに表示

スルファドンLP-3001-ドデシルピロリジン-2-オン1-ドデシル-2-ピロリドン1-ドデシル-2-ピロリジノンラウリルピロリドンクレアスター AU-EXCreastar Au-ExSulfadone LP-300N-LaurylpyrrolidoneN-DODECYLPYRROLIDONE1-dodecylpyrrolidone1-Lauryl-2-pyrrolido

UNII-3P14VW8FNY3P14VW8FNYBRN 0155011C16H31NODTXSID4042206CHEBI:146192EC 403-730-1laurylpyrrolidone

データベース識別子

CAS: 2687-96-9
PubChem CID: 62459
DTXSID: DTXSID4042206
ChEMBL: CHEMBL3186490
ChEBI: CHEBI:146192
UNII: 3P14VW8FNY
EC Number: 403-730-1、682-760-9
Nikkaji: J46.018D

物性

構造計算による物性

XLogP: 5.4
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 11
重原子数: 18
形式電荷: 0
複雑度: 215

実験および物理化学的性質

CosmeticsCleansing; Hair conditioning; Surfactant

Physical DescriptionLiquid

Collision Cross Section176.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4042206]

物理化学的性質

融点: 4 °C · 4°C
沸点: 202 · 202-205 °C11 mm Hg(lit.)
比重(密度): 0.89 g/mL · 0.89 g/mL at 25 °C(lit.)
蒸気圧: 0.002 Pa · 0.002Pa at 25℃
屈折率: 20 · n20/D 1.466(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): -0.43 · -0.43±0.20(Predicted)
外見: viscous liquid
水溶解度: 51.7 mg/L · 51.7mg/L at 20℃
化粧品成分の機能: クレンジング界面活性剤 - 洗浄ヘアコンディショニング
InChI: 1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2-15H2,1H3
InChIKey: NJPQAIBZIHNJDO-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCN1CCCC1=O
LogP: 4.03 at · 4.03 at 21℃
CAS データベース: 2687 · 2687-96-9(CAS DataBase Reference)
EPAの化学物質情報: -2 · N-Lauryl-2-pyrrolidone (2687-96-9)

化学的性質

化学的特性Colorless transparent liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Danger

H314 (89.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 5 件

Chemical: 2-Pyrrolidinone, 1-dodecyl-

2-Pyrrolidinone, 1-dodecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1-dodecyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/15673

1-Dodecyl-2-pyrrolidone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 4 件

Skin Corr. 1B (89.5%)

Skin Corr. 1B (100%)

Skin corrosion - category 1B

Skin Corr. 1B

安全データ

wgk: 2
tsca: TSCA listed
rtecs: UY5768000
ridadr: UN 3267 8/PG 3
risk_code: 34-43-50/53
化審法: 新規公示化学物質（2011年3月31日以前届出）
hazard_code: C,N
safety_code: 26-36/37/39-45-60-61
hazard_class: 8
packing_group: III
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Skin Corr. 1BSkin Sens. 1
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

U.S. Production2023: 250,000 - <550,000 lb

Consumer UsesSurfactant (surface active agent)

Industry UsesSurfactant (surface active agent)

Household ProductsInformation on 6 consumer products that contain Lauryl pyrrolidone in the following categories is provided:

Use ClassificationCosmetics -> Cleansing; Hair conditioning; Surfactant

General Manufacturing Information · 2 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

2-Pyrrolidinone, 1-dodecyl-: ACTIVE

応用分野

使用1-Dodecyl-2-pyrrolidinone was used in the preparation of few-layered flakes of molybdenum disulfide (MoS2) via liquid phase exfoliation of bulk MoS2 powder.

一般的な説明1-Dodecyl-2-pyrrolidinone is an N-alkyl lactam and its reduction with LiH3BNMe2 to the corresponding amine has been reported. It is a potential melatonin-specific chemical penetration enhancer.

上流・下流製品情報

上流原料

サプライヤー100 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

補足説明

定義本品は、次の化学式で表される複素環式化合物である。

化合物ノート

読み込み中…

1-ドデシル-2-ピロリジノン

基本情報

概要