Trimethylpyruvic acid (HCID 13150)

개요

3,3-dimethyl-2-oxobutanoic acid is a 2-oxo monocarboxylic acid that is 3,3-dimethylbutyric acid substituted by an oxo group at position 2. It is functionally related to a 3,3-dimethylbutyric acid.

이름 및 식별자

우선 이름: Trimethylpyruvic acid
IUPAC: 3,3-dimethyl-2-oxobutanoic acid
영어명: 3,3-Dimethyl-2-oxobutyric acid
분자식: C6H10O3
분자량: 130.14

이름 및 동의어

3,3-Dimethyl-2-oxobutyric acid3,3-Dimethyl-2-oxobutanoic acidTRIMETHYLPYRUVIC ACIDButanoic acid, 3,3-dimethyl-2-oxo-Pyruvic acid, trimethyl-Glyoxylic acid, tert-butyl-DTXSID9027314UNII-29CL615CLHButyric acid, 3,3-dimethyl-2-oxo-NSC-1664829CL615CLH2-oxo-3,3-dimethylbutyric acid

이름 더 보기

ca.60%aq.soln.TriMethyl pyruvateRARECHEM AL BO 2323tert-butylglyoxylicacidTrimethylpyruvic acid（TPMA)3,3-dimethyl-2-oxobutyricacid

HSDB 5757trimethylpyroracemic acidEINECS 212-418-2NSC 16648AI3-11509DTXCID2073142-oxo-3,3-dimethylbutanoic acidCHEBI:180663

데이터베이스 식별자

CAS: 815-17-8
PubChem CID: 13150
DTXSID: DTXSID9027314
ChEMBL: CHEMBL3182620
ChEBI: CHEBI:180663
UNII: 29CL615CLH
EC Number: 212-418-2
Nikkaji: J193.202K

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 54.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 141

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids

Physical DescriptionCrystalline solid; [MSDSonline]

물리화학적 성질

녹는점: 90.5 °C · 90.5°C
끓는 점: 80 °C · 80 °C / 15mmHg
밀도: 1.06 · 1.06
굴절률: 1.427 · 1.4270-1.4320
인화점: 13 °C · 13 °C
저장 조건: Inert atmosphere,Room Temperature
수용성: 물에 용해됨
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 2.65 · 2.65±0.54(Predicted)
색상: White or Colorless to Almost white or Almost colorless
InChI: InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)
InChIKey: IAWVHZJZHDSEOC-UHFFFAOYSA-N
SMILES: C(O)(=O)C(=O)C(C)(C)C
NIST: 3 · Butanoic acid, 3,3-dimethyl-2-oxo-(815-17-8)
EPA: 3 · 3,3-Dimethyl-2-oxobutyric acid (815-17-8)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.

Danger

H314 (94%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22695

Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]

Hazard Classes and CategoriesSkin Corr. 1B (94%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: WGK 3
tsca: TSCA listed
ridadr: 3261
HS 번호: 2918300090
risk_code: 36/37/38-34
hazard_code: C
safety_code: 26-37/39-45-36/37/39
포장분류: III
위험 등급: 8
기존화학 물질: KE-11715
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials
유해 물질 데이터: 815-17-8(Hazardous Substances Data)

화학 및 산업

용도 및 제조

General Manufacturing InformationButanoic acid, 3,3-dimethyl-2-oxo-: ACTIVE

응용 분야

용도3,3-Dimethyl-2-oxobutyric acid was used as an inhibitor in a study for tuberculosis,as it was analyzed for its binding affinity to pantothenate synthetase (PS), an essential metabolic enzyme in the pantothenate biosynthetic.

상·하류 제품 정보

상류 원료

하류 제품

3-thio-4-amino-6-t-butyl-1，2，4-triazine-5-one 피발알데히드 D-tert-Butylglycine 2-아다만타논 아세트알데히드 사이클로헥사논 비스(tert-부틸카르보닐록시)요오도벤젠97 4-Amino-6-(tert-butyl)-3-mercapto-1,2,4-triazin-5(4H)-one

공급사50 곳

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

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

张家港博迈化学有限公司15601563028

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

연결된 노트

불러오는 중…

Trimethylpyruvic acid

기본 정보

개요