레조르시놀 모노벤조에이트

Resorcinol, monobenzoate

HCID 8690

기본 정보

CAS: 136-36-7
표준 SMILES: O=C(Oc1cccc(O)c1)c1ccccc1
InChIKey: GDESWOTWNNGOMW-UHFFFAOYSA-N
분자식: C13H10O3
평균 분자량: 214.22 g/mol
단동위원소 질량: 214.06299418

개요

Resorcinol monobenzoate is a benzoate ester resulting from the formal condensation of benzoic acid with resorcinol. It has a role as an allergen. It is functionally related to a resorcinol.

이름 및 식별자

우선 이름: Resorcinol, monobenzoate
IUPAC: (3-hydroxyphenyl) benzoate
현지명: 레조르시놀 모노벤조에이트
영어명: Resorcinol monobenzoate
분자식: C13H10O3
분자량: 214.22

이름 및 동의어

3-Hydroxyphenyl benzoateResorcinol monobenzoate136-36-71,3-Benzenediol, monobenzoateEastman Inhibitor RMBRESORCINOL, MONOBENZOATEm-hydroxyphenyl benzoate942E82KUWDCHEBI:156556NSC-4807DTXSID1038878RefChem:879463

이름 더 보기

레조르시놀모노벤조에이트레조르시놀 모노벤조산WLN: QR COVReastmaninhibitorrmbRESORCINOL BENZOATEResorcinol 1-benzoateResorcin monobenzoate

DTXCID9018878205-241-7(3-hydroxyphenyl) benzoateBenzoic Acid 3-Hydroxyphenyl EsterBenzoic acid, m-hydroxyphenyl esterMFCD000201181,3-Benzenediol, 1-benzoate3-BENZOYLOXYPHENOL

데이터베이스 식별자

CAS: 136-36-7
PubChem CID: 8690
DTXSID: DTXSID1038878
ChEMBL: CHEMBL2260450
ChEBI: CHEBI:156556
UNII: 942E82KUWD
EC Number: 205-241-7
Nikkaji: J60.339B

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 233

실험 및 물리화학적 성질

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionDry Powder

Collision Cross Section152.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1038878]

물리화학적 성질

녹는점: 133 · 133-135 °C(lit.)
끓는 점: 314.35 °C · 314.35°C (rough estimate)
밀도: 1.1956 · 1.1956 (rough estimate)
굴절률: 1.509 · 1.5090 (estimate)
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 9.12 · 9.12±0.10(Predicted)
색상: 흰색에서 노란색, 주황색으로
EPA: 1 · 1,3-Benzenediol, monobenzoate (136-36-7)

화학적 성질

white fine crystalline powder

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 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: 1,3-Benzenediol, monobenzoate

1,3-Benzenediol, 1-benzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediol, 1-benzoate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1,3-Benzenediol, monobenzoate: 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.

Hazard Classes and CategoriesAcute Tox. 4 (98.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: VH2800000
HS 번호: 29182900
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36
기존화학 물질: KE-25481

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

General Manufacturing Information1,3-Benzenediol, 1-benzoate: ACTIVE

응용 분야

용도Resorcinol monobenzoate is used as an ultraviolet stabilizer in certain types of plastic films.

상·하류 제품 정보

상류 원료

4-하이드록시페닐벤조에이트 o-히드록시페닐벤조에이트 1,3-디벤조일록시벤젠 물 페닐 벤조산염 포르말린 벤조산 레조시놀

하류 제품

2,4-디히드록시벤조페논 Phenol, 3-(phenylmethoxy)-, 1-benzoate

공급사47 곳

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

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

화합물 노트

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기본 정보

CAS: 136-36-7
표준 SMILES: O=C(Oc1cccc(O)c1)c1ccccc1
InChIKey: GDESWOTWNNGOMW-UHFFFAOYSA-N
분자식: C13H10O3
평균 분자량: 214.22 g/mol
단동위원소 질량: 214.06299418

개요

Resorcinol monobenzoate is a benzoate ester resulting from the formal condensation of benzoic acid with resorcinol. It has a role as an allergen. It is functionally related to a resorcinol.