트리카르발릴산

1,2,3-Propanetricarboxylic acid

HCID 14925CAS 99-14-9
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기본 정보

표준 SMILES
O=C(O)CC(CC(=O)O)C(=O)O
InChIKey
KQTIIICEAUMSDG-UHFFFAOYSA-N
분자식
C6H8O6
평균 분자량
176.12 g/mol
단동위원소 질량
176.03208798

개요

Tricarballylic acid is a tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group. It is a conjugate acid of a tricarballylate.

이름 및 식별자

우선 이름
1,2,3-Propanetricarboxylic acid
IUPAC
propane-1,2,3-tricarboxylic acid
현지명
트리카르발릴산
영어명
Tricarballylic acid
분자식
C6H8O6
분자량
176.12

이름 및 동의어

Tricarballylic acid99-14-91,2,3-Propanetricarboxylic acidCarballylic acidbeta-Carboxyglutaric acidPropane 1,2,3-tricarboxylic acid3-carboxypentanedioic acidcarboxymethylsuccinic acidCHEBI:45969PROPANE TRICARBOXYLIC ACIDNSC-2347RA5QH2J020
이름 더 보기
트라이카발릴산트리카르발릴산트리카르복실산Tricarballylicacid,99%TricarbaLAKOS 223-48Tricarballylate(Hoocch2)2chcoohricarballylicacitricarallylic acid
DTXSID8059186RefChem:899162DTXCID3049095202-733-3Propane-1,2,3-tricarboxylatePropane-1,2,3-tricarboxylic acid3-carboxyglutaric acid1,2,3-Propanetricarboxylicacid

데이터베이스 식별자

CAS
99-14-9
PubChem CID
14925
DTXSID
DTXSID8059186
ChEMBL
CHEMBL1236394
ChEBI
CHEBI:45969
UNII
RA5QH2J020
EC Number
202-733-3
Nikkaji
J4.963H

물성

구조 계산 물성

XLogP
-1.2
극성 표면적
112 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
5
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals -> Listed in ZINC15
Solubility3.32E+05 mg/L @ 18C (exp)
Melting Point166 °C
Physical Description · 2건

Solid; [Merck Index] Crystalline solid; [Alfa Aesar MSDS]

Solid

물리화학적 성질

녹는점
156 · 156-161 °C(lit.)
끓는 점
227.71 °C · 227.71°C (rough estimate)
밀도
1.3744 · 1.3744 (rough estimate)
굴절률
1.586 · 1.5860 (estimate)
저장 조건
30 °C · Store below +30°C.
용해도
2 O: · H2O: 50 mg/mL, 투명

화학적 성질

off-white to light brown fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6.4% (6 of 94) of reports.

Warning

H315 (93.6%): 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 94 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1,2,3-Propanetricarboxylic acid

Commission Regulation (EC) No 451/2000

1,2,3-Propanetricarboxylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (93.6%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29171900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

UsesProduced by rumen bacteria and is a component of fumonisin mycotoxins; [Merck Index]
General Manufacturing Information1,2,3-Propanetricarboxylic acid: ACTIVE

응용 분야

용도It is used as an alternative to DMDHEU (formaldehyde releasing cross- linking agent).

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

추가 설명

정의ChEBI: A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group.

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