Mesaconic acid

HCID 638129CAS 498-23-7
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기본 정보

표준 SMILES
C/C(=C\C(=O)O)C(=O)O
InChIKey
HNEGQIOMVPPMNR-NSCUHMNNSA-N
분자식
C5H6O4
평균 분자량
130.1 g/mol
단동위원소 질량
130.02660867

개요

Mesaconic acid is a dicarboxylic acid consisting of fumaric acid having a methyl substituent at the 2-position. It has a role as a plant metabolite and a human metabolite. It is a dicarboxylic fatty acid and a dicarboxylic acid. It is functionally related to a fumaric acid. It is a conjugate acid of a mesaconate(2-).

이름 및 식별자

우선 이름
Mesaconic acid
IUPAC
(E)-2-methylbut-2-enedioic acid
영어명
Mesaconic acid
분자식
C5H6O4
분자량
130.1

이름 및 동의어

mesaconic acid498-24-82-Methylfumaric acid2-Butenedioic acid, 2-methyl-, (2E)-Fumaric acid, methyl-(2E)-2-METHYLBUT-2-ENEDIOIC ACIDCitronic acid(E)-2-methylbut-2-enedioic acidtrans-2-Methyl-2-butenedioic acidtrans-1-Propene-1,2-dicarboxylic acidKyselina mesakonovaButenedioic acid, methyl-, (E)-
이름 더 보기
Mesaconate2-methylfumarateMesaconicAcid>methyl-fumaricaciMESACONIC ACID 99%METHYLFUMARIC ACIDkyselinamesakonova
2-Butenedioic acid, 2-methyl-, (E)-Kyselina mesakonova [Czech](E)-Citraconic acid2-methyl-2E-butenedioic acidNSC 65438BRN 1722680(2E)-2-Methyl-2-butenedioic acidEINECS 207-859-2

데이터베이스 식별자

CAS
498-23-7、498-24-8
PubChem CID
638129
DTXSID
DTXSID10883407
ChEBI
CHEBI:16600
UNII
90UTM639KK
EC Number
207-859-2
Nikkaji
J278.813F、J6.107G

물성

구조 계산 물성

XLogP
-0.1
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
9

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
SpringerMaterials PropertiesCrystal structure
Solubility26.3 mg/mL at 18 °C
Melting Point200 - 202 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
200 · 200-202 °C(lit.)
끓는 점
250 ° · bp 250° (decompn)
밀도
1.466 · 1.466
굴절률
1.424 · 1.4240 (estimate)
저장 조건
2 · 2-8°C
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

Mesaconic acid is a natural isomer of itaconic acid, appearing as colourless, oblique needle-like crystals or monoclinic plates. It is soluble in ether, but sparingly soluble in chloroform and carbon disulphide.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
OX5075000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

General Manufacturing Information2-Butenedioic acid, 2-methyl-, (2E)-: ACTIVE

응용 분야

용도Mesaconic acid is used in electropolishing stainless steel and as a laminant for polyethylene.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
추가 설명 · 1건

정의ChEBI: Mesaconic acid is a dicarboxylic acid consisting of fumaric acid having a methyl substituent at the 2-position. It has a role as a plant metabolite and a human metabolite. It is a dicarboxylic fatty acid and a dicarboxylic acid. It is functionally related to a fumaric acid. It is a conjugate acid of a mesaconate(2-).

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