Tris(hydroxymethyl)aminomethane

β-D-ribo-Hexopyranose, 1,6-anhydro-3-deoxy-2-O-(1-methylethyl)-4-O-(phenylmethyl)- · .beta.-D-ribo-Hexopyranose, 1,6-anhydro-3-deoxy-2-O-(1-methylethyl)-4-O-(phenylmethyl)-

https://huagongshe.com/ja/chemical/6503

識別子と物理属性

CAS No.	136760-04-8
分子式	C4H11NO3
平均分子量	121.14 g/mol
単同位体質量	121.07389321 g/mol
SMILES	NC(CO)(CO)CO
InChIKey	LENZDBCJOHFCAS-UHFFFAOYSA-N
PubChem CID	6503
ChEMBL	CHEMBL1200391
ChEBI	CHEBI:9754
EC No.	201-064-4
DTXSID	DTXSID2023723

化学・物理的性質

XLogP	-2.9
極性表面積	86.7
水素結合供与体数	4
水素結合受容体数	4
回転可能結合数	3
重原子数	8
形式電荷	0
複雑度	54
物質分類	Other Uses -> Biological Buffers
医薬品	Pharmaceuticals -> Used in SwitzerlandPharmaceuticals -> Listed in ZINC15
化粧品	Cosmetic ingredients (Tromethamine) -> CIR (Cosmetic Ingredient Review)Buffering
pH	pH of 0.1 molar aq soln = 10.4
SpringerMaterials Properties	Crystal structure
香料	Fragrance Ingredient (2-Amino-2-(hydroxymethyl)-1,3-propanediol) -> IFRA transparency List
臭い	SLIGHT, CHARACTERISTIC ODOR
味	FAINT, SWEET, SOAPY TASTE
Color/Form	Crystalline massWHITE, CRYSTALLINE POWDER
溶解度	79.1 mg/mL in ethylene glycol26 mg/mL in methanol14.6 mg/mL in anhyd ethanol22 mg/mL in 95% ethanol14 mg/mL in dimethyl formamide20 mg/mL in acetone0.5 mg/mL in ethyl acetate0.4 mg/mL in olive oil0.1 mg/mL in cyclohexane0.05 mg/mL in chloroformless than 0.05 mg/mL in carbon tetrachlorideIn water, 5.50X10+5 mg/L at 25 °C
Human Drugs	FDA approved drugs -> Active ingredient
Animal Drugs	Pharmaceuticals -> UK Veterinary Medicines Directorate ListPharmaceuticals -> Animal Drugs -> Approved in Taiwan
沸点	371.4±42.0 °C(Predicted)
密度	1.13±0.1 g/cm3(Predicted)

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 19.7% (235 of 1192) of reports.WarningH315 (80.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, 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 1192 reports by companies from 31 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Chemical: 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-1,3-Propanediol, 2-amino-2-(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-amino-2-(hydroxymethyl)- 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)Status: Active Update: 06-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14861.beta.-D-ribo-Hexopyranose, 1,6-anhydro-3-deoxy-2-O-(1-methylethyl)-4-O-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standardTromethamine: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	IMAP assessments - 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-: Environment tier I assessment
有害性の概要	Not expected to be a skin sensitizer, based on similar compoundsLittle if any human toxicity observed in many years of use in drugs and/or personal care products and cosmetics[EPA ChAMP: Submission] A skin and strong eye irritant[Alfa Aesar MSDS]
FDA 要件	The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl tromethamine, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
DOT Hazard Classification	Tris, bis-bifluoroamino diethoxy propane (TVOPA)Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)