Ethitanin

HCID 13358

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Basic information

CAS: 868-59-7
Standard SMILES: CCOC(=O)[C@@H]([NH3+])CS.[Cl-]
InChIKey: JFKJWWJOCJHMGV-WCCKRBBISA-N
Molecular formula: C5H12ClNO2S
Average molar mass: 185.67 g/mol
Monoisotopic mass: 185.0277275

Overview

See also: Ethyl cysteinate hydrochloride (preferred).

Names & identifiers

Preferred name: Ethitanin
IUPAC: [(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]azanium chloride
English name: L-Cysteine ethyl ester hydrochloride
Molecular formula: C5H12ClNO2S
Molecular weight: 185.67

Names & synonyms

Ethitanin[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]azanium;chlorideUNII-AM467TB2I1L-Trp-OEtCystaninE-CystenH-CYS-OETNSC 117387NSC 519837Cys-Oet·HClL-Cys-Oet·HClH-CYS-OET HCL

Show more names

-Cysteine EthyL

Database identifiers

CAS: 868-59-7
PubChem CID: 13358

Properties

Computed structural properties

Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 97

Physicochemical properties

Melting point: 123 · 123-125 °C(lit.)
alpha: -13 · -13 º (c=8, 1 N HCL)
refractive index: -11.5 ° · -11.5 ° (C=8, 1mol/L HCl)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: solid
color: white
optical activity: 20 · [α]20/D 7.9°, c = 1 in 1 M HCl
Water Solubility: Soluble in water.
Sensitive: Hygroscopic
BRN: 3562600 · 3562600
Major Application: peptide synthesis
Cosmetics Ingredients Functions: SKIN PROTECTING
InChI: InChI=1/C5H11NO2S.ClH/c1-2-8-5(7)4(6)3-9;/h4,9H,2-3,6H2,1H3;1H/t4-;/s3
InChIKey: JFKJWWJOCJHMGV-NDILARRWNA-N
SMILES: C(=O)(OCC)[C@@H](N)CS.Cl |&1:5,r|
CAS DataBase Reference: 868 · 868-59-7(CAS DataBase Reference)
FDA UNII: 467 TB2I1 · AM467TB2I1
EPA Substance Registry System: L-Cysteine, ethyl ester, hydrochloride (868-59-7)
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25-36-26
WGK Germany: 2 · 2
RTECS: 1820000 · HA1820000
TSCA: TSCA listed
HS Code: 29309090 · 29309090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 2
tsca: TSCA listed
rtecs: HA1820000
hs_code: 29309090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25-36-26
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesL-Cysteine ethyl ester hydrochloride is widely used in food additive, cosmetic, pharmaceutical area.

Upstream & downstream products

Upstream raw materials

Ethanol L-Cysteine

Downstream products

2-(3-Chloro-phenyl)-thiazole-4-carboxylic acid ethyl ester 2-(2-Methoxy-phenyl)-thiazole-4-carboxylic acid ethyl ester 2-(3-Methoxy-phenyl)-thiazole-4-carboxylic acid ethyl ester

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

Additional notes

DefinitionChEBI: Ethyl L-cysteine hydrochloride is an alpha-amino acid ester.

Related reactions

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Compound notes

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