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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 18673003생성일: 2026년 10월 25일

4-(메톡시카르보닐)-3-메틸벤조산

4-(메톡시카르보닐)-3-메틸벤조산 · 4-(Methoxycarbonyl)-3-Methylbenzoic acid · 2-Methyl-terephthalic acid 1-methyl ester · 4-Methoxycarbonyl-3-methyl-benzoicacid - [B69978] · 2-methylbenzene-1,4-dicarboxylic acid 1-methyl ester · 1,4-Benzenedicarboxylic acid, 2-methyl-, 1-methyl ester

https://huagongshe.com/ko/chemical/18673003

4-(메톡시카르보닐)-3-메틸벤조산 분자 구조식

식별자 및 물리적 특성

CAS No.116934-87-3
분자식C10H10O4
평균 분자량194.18 g/mol
단동위원소 질량194.0579088 g/mol
SMILESCOC(=O)c1ccc(C(=O)O)cc1C
InChIKeyHFCRSABBNBNZNG-UHFFFAOYSA-N
PubChem CID18673003
EC No.890-106-0
현지명4-(메톡시카르보닐)-3-메틸벤조산

화학 및 물리적 성질

XLogP1.7
극성 표면적63.6
수소 결합 공여자 수1
수소 결합 수용자 수4
회전 가능 결합 수3
무거운 원자 수14
형식 전하0
복잡도236
끓는 점333.2±30.0 °C(Predicted)
밀도1.243±0.06 g/cm3(Predicted)
저장 조건Sealed in dry,Room Temperature
pKa(산도 계수)3.84±0.10(Predicted)

안전 및 규제

GHS 분류WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
신호 어Warning
유해·위험 문구암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302