基本情報
- 標準SMILES
CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]- InChIKey
DVEKCXOJTLDBFE-UHFFFAOYSA-N- 分子式
- C16H33NO2
- 平均分子量
- 271.44 g/mol
概要
The CIR Expert Panel concluded that the eleven alkyl betaines listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Lauryl Betaine...
名称と識別子
- 優先名称
- Lauryldimethylbetaine
- IUPAC
- 2-[dodecyl(dimethyl)azaniumyl]acetate
- 現地名
- カルボキシラトメチルドデシルジメチルアンモニウム
- 英語名
- Lauryl betaine
- 分子式
- C16H33NO2
- 分子量
- 271.45
名称と別名
名称をさらに表示
データベース識別子
- CAS
683-10-3、85736-48-7- PubChem CID
- 4292413
- DTXSID
DTXSID6041266- ChEMBL
CHEMBL1232088- UNII
- Y4P927Q133
- EC Number
- 211-669-5、288-457-4
- Nikkaji
- J205.991F
物性
構造計算による物性
- XLogP
- 6.1
- 極性表面積
- 40.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 12
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 221
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Lauryl Betaine) -> CIR (Cosmetic Ingredient Review)
Hair conditioning; Skin conditioning; Antistatic; Cleansing; Surfactant
物理化学的性質
- 沸点
- 414.52 °C · 414.52°C (rough estimate)
- 比重(密度)
- 1.04 g/mL · 1.04 g/mL at 20 °C
- 蒸気圧
- 16.796 hPa · 16.796hPa at 21.1℃
- 屈折率
- 1.4545 · 1.4545 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- Chloroform (Slightly), DMSO (Slightly, Heated), Methanol (Slightly)
- 外見
- Solid
- 色
- White to Off-White
- 比重
- 1.03 · 1.03
- 水溶解度
- 464 g/L · 464g/L at 25℃
- BRN
- 3670807 · 3670807
- 安定性
- Hygroscopic
- 化粧品成分の機能
- スキンコンディショニングヘアコンディショニング界面活性剤 - 洗浄帯電防止クレンジング
- InChI
- 1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3
- InChIKey
- DVEKCXOJTLDBFE-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCC[N+](C)(C)CC([O-])=O
- LogP
- 0.07 at · 0.07 at 25℃
- EPAの化学物質情報
- 1 · 1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt (683-10-3)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 5.5% (51 of 935) of reports.
Danger
H302 (53%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 935 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
危険有害性情報
Regulatory Information
Chemical: 1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt
1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt 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)
REACH registered substance: (carboxylatomethyl)dodecyldimethylammonium (EC: 211-669-5)
1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (53%)
Not Classified
Acute toxicity (Oral) - Category 4
Skin sensitization - Category 1
毒性情報
Toxicity Summary
The CIR Expert Panel concluded that the eleven alkyl betaines listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Lauryl Betaine...
Safe for use in cosmetics, with qualifications
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- JR2115000
- ridadr
- 2811
- risk_code
- 36/37/38-25-21
- 化審法
- 優先評価化学物質
- hazard_code
- Xi,T
- safety_code
- 26-36-45-36/37
- hazard_class
- 6.1
- packing_group
- Ⅲ
- Hazard Classifications
- Acute Tox. 3 Oral
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
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 -> Hair conditioning; Skin conditioning; Antistatic; Cleansing; Surfactant
General Manufacturing Information
Wholesale and Retail Trade
1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt: ACTIVE
応用分野
用途繊維仕上げ剤、化粧品?シャンプー原料、消毒剤 (化学工業日報社)
使用Lauryl Betaine is an amphoteric surfactant derived from N-dodecyl-N,N-dialkanol amine with protein denaturing potency. Lauryl Betaine is mainly used in shampoo, personal hygiene products and oil field chemicals.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義本品は、次の化学式で表される両性化合物(分子内塩)である。
関連反応
現在のフィルター条件では反応記録がありません。
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