Ethyl Thioglycolate (HCID 12185)

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-aethylesterNSC 8834Ethyl .alpha.-mercaptoacetateAcetic acid, 2-mercapto-, ethyl ester2-mercaptoacetic acid ethyl esterUNII-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 0605581AI3-23030NSC-8834Ethyl alpha-mercaptoacetateETHOXYCARBONYLMETHANETHIOL4-03-00-00616 (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

XLogP: 0.8
極性表面積: 27.3 Å²
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 · 2 件

Cosmetic ingredients (Ethyl Thioglycolate) -> CIR (Cosmetic Ingredient Review)

Hair waving or straightening; Reducing; Depilatory

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: 605581 · 605581
安定性: 安定。可燃性。強酸化剤、強塩基とは相容れない。
化粧品成分の機能: 還元剤脱毛剤ヘアウェーブとヘアストレート
InChI: 1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3
InChIKey: PVBRSNZAOAJRKO-UHFFFAOYSA-N
SMILES: CCOC(=O)CS
LogP: 1.134 · 1.134 (est)
CAS データベース: 623 · 623-51-8(CAS DataBase Reference)
EPAの化学物質情報: Acetic acid, mercapto-, ethyl ester (623-51-8)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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 · 2 件

Status: Active Update: 03-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34481

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 · 2 件

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: TSCA listed
rtecs: AI6650000
ridadr: UN 1992 3/PG 3
hs_code: 29309090
risk_code: 10-25-36/38
化審法: (2)-1358
消防法: 危-4-2-III
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
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

UsesCIR ingredient: Ethyl Thioglycolate

Use ClassificationCosmetics -> Hair waving or straightening; Reducing; Depilatory

General Manufacturing InformationAcetic acid, 2-mercapto-, ethyl ester: ACTIVE

応用分野 · 1 件

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.