チオグリコール酸 エチル
Ethyl Thioglycolate
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基本情報
- CAS
623-51-8- 標準SMILES
CCOC(=O)CS- InChIKey
PVBRSNZAOAJRKO-UHFFFAOYSA-N- 分子式
- C4H8O2S
- 平均分子量
- 120.17 g/mol
- 単同位体質量
- 120.02450067
概要
Based on the available data, the CIR Expert Panel concluded that ... Ethyl Thioglycolate is safe for use in hair straighteners, permanent waves, tonics, dressings, and so forth, wave sets, other non-coloring hair products, and hair dyes and colors, as described in this safety assessment, at concentrations up to 15.2% (as Thioglycolic Acid). Hairdressers should avoid skin contact and minimize consumer skin exposure.
名称と識別子
- 優先名称
- Ethyl Thioglycolate
- IUPAC
- ethyl 2-sulfanylacetate
- 現地名
- チオグリコール酸 エチル
- 英語名
- Ethyl Thioglycolate
- 分子式
- C4H8O2S
- 分子量
- 120.17
名称と別名
Ethyl thioglycolate623-51-8Ethyl 2-mercaptoacetateEthyl mercaptoacetateUSAF EK-2070Thioglykolsaeure-aethylesterEthyl .alpha.-mercaptoacetateAcetic acid, 2-mercapto-, ethyl ester2-mercaptoacetic acid ethyl esterNSC 8834UNII-Z5SD8DD6CPZ5SD8DD6CP
名称をさらに表示
チオグリコール酸 エチル2-メルカプト酢酸エチルメルカプト酢酸エチルチオグリコール酸エチルエチル 2-メルカプトアセテ-ト2‐メルカプト酢酸エチルエチル=メルカプトアセタート, 98+%エチル 2-スルファニルアセタートTHIOGLYCOLIC ACID ETHYL ESTERusafek-2070EthylthioglykolatEthyl thioglycolatEthylsulfanylacetatThioglycolate ethyl
EINECS 210-800-3Thioglykolsaeure-aethylester [German]BRN 0605581ETHOXYCARBONYLMETHANETHIOLAI3-23030NSC-8834Ethyl alpha-mercaptoacetate4-03-00-00616 (Beilstein Handbook Reference)
データベース識別子
- CAS
623-51-8- PubChem CID
- 12185
- DTXSID
DTXSID8049337- ChEMBL
CHEMBL3181965- UNII
- Z5SD8DD6CP
- EC Number
- 210-800-3
- Nikkaji
- J49.275B
物性
構造計算による物性補完中
- XLogP
- 0.8
- 極性表面積
- 27.3 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
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 62.7
実験および物理化学的性質
Chemical ClassesOther Classes -> Esters, Other
Cosmetics
Cosmetic ingredients (Ethyl Thioglycolate) -> CIR (Cosmetic Ingredient Review)
Depilatory; Hair waving or straightening; Reducing
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionColorless liquid with a stench; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- -80 °C · -80 °C
- 沸点
- 54 °C/12 · 54 °C/12 mmHg (lit.)
- 比重(密度)
- 1.096 g/mL · 1.096 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.457(lit.)
- 闪点
- 118 °F · 118 °F
- 貯蔵温度
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 外見
- 液体
- 酸解離定数(Pka)
- 1 · pK1:7.95(SH) (25°C)
- 色
- 無色透明
- 水溶解度
- 混和しないか、水に混ざりにくい。
- BRN
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
H226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
REACH registered substance: Ethyl mercaptoacetate (EC: 210-800-3)
Ethyl thioglycolate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mild eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Thioglycolic acid.
Hazard Classes and CategoriesFlam. Liq. 3 (98.1%)
毒性情報
Toxicity Summary
Based on the available data, the CIR Expert Panel concluded that ... Ethyl Thioglycolate is safe for use in hair straighteners, permanent waves, tonics, dressings, and so forth, wave sets, other non-coloring hair products, and hair dyes and colors, as described in this safety assessment, at concentrations up to 15.2% (as Thioglycolic Acid). Hairdressers should avoid skin contact and minimize consumer skin exposure.
Safe for use in cosmetics, with qualifications
安全データ
- wgk
- 3
- tsca
化学と産業
用途と製造
UsesCIR ingredient: Ethyl Thioglycolate
Use ClassificationCosmetics -> Depilatory; Hair waving or straightening; Reducing
General Manufacturing InformationAcetic acid, 2-mercapto-, ethyl ester: ACTIVE
応用分野
使用It finds its application in the reaction of the dilithio-derivative with an aldehyde, followed by conversion to the episulfide by reaction with ethyl chloroformate, and desulfurization with triethyl phosphite, leads to the (E)-2-alkenoic acid with high stereoselectivity. It is used as depilatories, hair straightening agent, hair waving agent, and reducing agent in cosmetic industry.
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下流製品
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