(1E,3E)-1,3-부타디엔-1,4-디카르복실산디메틸에스테르

Dimethyl muconate, (E,E)-

HCID 5370244CAS 1119-43-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)/C=C/C=C/C(=O)OC
InChIKey: PXYBXMZVYNWQAM-GGWOSOGESA-N
분자식: C8H10O4
평균 분자량: 170.16 g/mol

이름 및 식별자

우선 이름: Dimethyl muconate, (E,E)-
IUPAC: dimethyl (2E,4E)-hexa-2,4-dienedioate
현지명: (1E,3E)-1,3-부타디엔-1,4-디카르복실산디메틸에스테르
영어명: (1E,3E)-1,3-Butadiene-1,4-dicarboxylic acid dimethyl ester
분자식: C8H10O4
분자량: 170.16

이름 및 동의어

1119-43-3Dimethyl trans,trans-muconateDimethyl muconate, (E,E)-Dimethyl (E,E)-2,4-hexadienoateNSC-167514E2B8XTM21E(2E,4E)-muconic acid dimethyl esterMuconic acid (E,E)-form dimethyl ester [MI]2,4-Hexadienedioic acid, dimethyl ester,2,4-Hexadienedioic acid, 1,6-dimethyl ester, (2E,4E)-1,6-DIMETHYL (2E,4E)-HEXA-2,4-DIENEDIOATEDIMETHYL 2,4-HEXADIENE-1,6-DIOATE

이름 더 보기

(1E,3E)-1,3-부타디엔-1,4-디카르복실산디메틸에스테르NSC 167514(E,E)-Muconic acid dimethylMuconic acid dimethyl estertrans,trans-Muconic acid dimethyldimethyl (2E,4E)-hexa-2,4-dienedioate(E,E)-2,4-Dimethyl hexadienedioic acid

2,4-Hexadienedioic acid, dimethyl ester, (E,E)-RefChem:588286Muconic acid (2E,4E)-form dimethyl esterMUCONIC ACID (E,E)-FORM DIMETHYL ESTER651-442-1825-707-9Dimethyl (E,E)-muconateMuconic acid (2E,4E)-form dimethyl ester [MI]

데이터베이스 식별자

CAS: 1119-43-3、1733-37-5
PubChem CID: 5370244
UNII: E2B8XTM21E
EC Number: 651-442-1、825-707-9
Nikkaji: J123.472B、J47.049J

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 191

물리화학적 성질

녹는점: 157 · 157-158℃
끓는 점: 251 ℃ · 251℃
밀도: 1.099 · 1.099
인화점: 122 ℃ · 122℃

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]