基本情報
- CAS
97-78-9- 標準SMILES
CCCCCCCCCCCC(=O)N(C)CC(=O)O- InChIKey
BACYUWVYYTXETD-UHFFFAOYSA-N- 分子式
- C15H29NO3
- 平均分子量
- 271.4 g/mol
- 単同位体質量
- 271.21474379
概要
N-Lauroylsarcosine is a N-acyl-amino acid.
名称と識別子
- 優先名称
- Lauroylsarcosine
- IUPAC
- 2-[dodecanoyl(methyl)amino]acetic acid
- 現地名
- N-ラウロイルサルコシン
- 英語名
- N-LAUROYLSARCOSINE
- 分子式
- C15H29NO3
- 分子量
- 271.4
名称と別名
N-LAUROYLSARCOSINE97-78-9Lauroyl sarcosineGlycine, N-methyl-N-(1-oxododecyl)-LauroylsarcosineHamposyl LMaprosyl LSarcosyl LN-LaurylsarcosineN-Lauroyl sarcosinateCrodasinic L2-(N-methyldodecanamido)acetic acid
名称をさらに表示
N-ラウロイルサルコシンクロダシニックLマプロシルLサルコシナートLHN-(カルボキシメチル)-N-メチルラウリンアミドニッコールサルコシナートLHN-ドデカノイルサルコシンN-ラウロイル-N-メチルグリシンN-メチル-N-(カルボキシメチル)ラウリンアミドサルコシルLN-ドデカノイル-N-メチルアミノ酢酸N-ドデカノイル-N-メチルグリシンN-メチル-N-(1-オキソドデシル)グリシンハンポシルLラウロイルサルコシンN-ラウロイルサルコシン, ニートN-DODECANOYL-N-METHYLGLYCINEN-LAURYL SARCOSINESARKOSYL LSarcosinate LHN-Lauroylsarkosin
Nikkol sarcosinate LHN-Lauroyl-N-methylaminoacetic acidLIJ19P3L6FNSC-96994LOWENOL L ACIDSarkosyn-lauroyl sarcosinen-lauroylsarcosinate
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 57.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 12
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 254
実験および物理化学的性質
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
Cosmetics
Cosmetic ingredients (Lauroyl Sarcosine) -> CIR (Cosmetic Ingredient Review)
Cleansing; Surfactant; Antistatic; Hair conditioning
SurfactantsSurfactant
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
White hygroscopic powder; [Sigma-Aldrich MSDS]
Collision Cross Section170.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7042011]
物理化学的性質
- 融点
- 45 · 45-49 °C
- 沸点
- 413.2 · 413.2±28.0 °C(Predicted)
- 比重(密度)
- 0.97 · 0.97
- 蒸気圧
- 27.5 Pa · 27.5Pa at 25℃
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- almost transparency in Methanol
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H315 (90.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 173 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Glycine, N-methyl-N-(1-oxododecyl)-
Glycine, N-methyl-N-(1-oxododecyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N-methyl-N-(1-oxododecyl)- 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: N-lauroylsarcosine (EC: 202-608-3)
Glycine, N-methyl-N-(1-oxododecyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Sarcosine hydrochloride.
Hazard Classes and CategoriesSkin Irrit. 2 (90.2%)
毒性情報
Health EffectsAcyl sarcosines may cause irritation to the skin and eyes. They may also react to produce N-nitrososarcosine, which is believed to be carcinogenic. (A2881)
Exposure RoutesOral (A2881) ; inhalation (A2881) ; dermal (A2881)
化学と産業
薬理情報
Metabolism/Metabolites
Acyl sarcosines can be absorbed following oral or dermal contact, while nitrosamines can enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. Sarcosine is metabolized to glycine by the enzyme sarcosine dehydrogenase. (A2878, A2879, L1892)
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
用途と製造
Uses
CIR ingredient: Lauroyl Sarcosine
Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Acyl sarcosines are used as hair-conditioning agents and surfactant-cleansing agents in cosmetics, as well as to improve wetting and penetration of topical pharmaceutical products. Acyl sarcosines and their sodium salts are also used in the metal finishing and processing industries for their crystal modifying, anti-rust, and anti-corrosion properties. (A2881)
U.S. Production2023: 88,531 lb
Industry UsesSurfactant (surface active agent)
Household ProductsInformation on 25 consumer products that contain Lauroyl sarcosine in the following categories is provided:
Use ClassificationCosmetics -> Cleansing; Surfactant; Antistatic; Hair conditioning
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
関連反応
3 件
化合物ノート
読み込み中…