기본 정보
- CAS
606-28-0- 표준 SMILES
COC(=O)c1ccccc1C(=O)c1ccccc1- InChIKey
NQSMEZJWJJVYOI-UHFFFAOYSA-N- 분자식
- C15H12O3
- 평균 분자량
- 240.25 g/mol
- 단동위원소 질량
- 240.07864424
개요
Methyl 2-benzoylbenzoate is a member of benzophenones.
이름 및 식별자
- 우선 이름
- Methyl o-benzoylbenzoate
- IUPAC
- methyl 2-benzoylbenzoate
- 현지명
- 벤조일안식향산메틸
- 영어명
- Methyl 2-benzoylbenzoate
- 분자식
- C15H12O3
- 분자량
- 240.25
이름 및 동의어
Methyl 2-benzoylbenzoate606-28-0Methyl o-benzoylbenzoateBenzoic acid, o-benzoyl-, methyl estero-(Methoxycarbonyl)benzophenoneBenzoic acid, 2-benzoyl-, methyl esterDTXSID2060549AI3-00516NSC-3797XUP7S9NT59RefChem:565521DTXCID8042840
이름 더 보기
벤조일안식향산메틸OMBBOBMMBBPI-OMBBYF-PI OMBBIHT-PI OMBBOMNIRADOMBBHRcure-OMBBPHOTOCURE 55
210-112-3Methyl-2-benzoylbenzoate2-Benzoylbenzoic Acid Methyl Ester2-Benzoylbenzoic acid, methyl estermethyl 2-(phenylcarbonyl)benzoateBenzoic acid, benzoyl-, methyl ester2-(Methoxycarbonyl)benzophenoneMFCD00017187
데이터베이스 식별자
- CAS
606-28-0- PubChem CID
- 11816
- DTXSID
DTXSID2060549- ChEMBL
CHEMBL3629239- ChEBI
CHEBI:191129- UNII
- XUP7S9NT59
- EC Number
- 210-112-3
- Nikkaji
- J36.119D
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 305
실험 및 물리화학적 성질
SpringerMaterials PropertiesDiamagnetic susceptibility
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder; CBI; Large Crystals
물리화학적 성질
- 녹는점
- 48 · 48-53 °C (lit.)
- 끓는 점
- 352 °C · 352 °C
- 밀도
- 1 · 1,69 g/cm3
- 증기압
- 0 Pa · 0Pa at 20℃
- 굴절률
- 1.574 · 1.5740 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- Insoluble in water
- 물리적 상태
- powder to crystal
- 색상
- White to Orange to Green
- 수용성
- 117.7 mg/L · 117.7mg/L at 20℃
- InChI
- 1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3
- InChIKey
- NQSMEZJWJJVYOI-UHFFFAOYSA-N
- SMILES
- COC(=O)c1ccccc1C(=O)c2ccccc2
- LogP
- 2.8 at · 2.8 at 25℃
- NIST
- 2 · Benzoic acid, 2-benzoyl-, methyl ester(606-28-0)
- EPA
- Methyl o-benzoylbenzoate (606-28-0)
화학적 성질
White or yellowish granule crystals, soluble in alcohol and alkali solution, almost insoluble in water when precipitated in acid.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.2% (74 of 2297) of reports.
H412 (93.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2297 reports by companies from 8 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzoic acid, 2-benzoyl-, methyl ester
Benzoic acid, 2-benzoyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-benzoyl-, methyl ester 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)
REACH registered substance: Methyl 2-benzoylbenzoate (EC: 210-112-3)
Benzoic acid, 2-benzoyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 3 (93.1%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- HS 번호
- 29183000
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- 위험 등급
- 9
- 기존화학 물질
- KE-23503
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2023: 250,000 - <400,000 lb
Consumer UsesPigment
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Printing and Related Support Activities
Benzoic acid, 2-benzoyl-, methyl ester: ACTIVE
응용 분야
용도Methyl 2-benzoylbenzoate is used as an anti-ultraviolet absorber and a preservative for food and beverages.
일반 설명Methyl-2-benzoylbenzoate is a 2-acylarylcarboxylate. It can undergo asymmetric transfer hydrogenation reaction in propanol in the presence of a Ruthenium catalyst. Methyl-2-benzoylbenzoate is formed as one of the reaction products during the reaction between methyl benzoate and lithium 2,2,6,6-tetramethylpiperidide (LiTMP) at -117°C.
제조 방법
Methyl-2-benzoylbenzoate can be synthesized from the reaction between corresponding 2-substituted benzoic acid and thionyl chloride in methanol.
상·하류 제품 정보
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