기본 정보
- CAS
2092-49-1- 표준 SMILES
COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2O)c1O- InChIKey
NSTQUZVZBUTVPY-UHFFFAOYSA-N- 분자식
- C16H14O6
- 평균 분자량
- 302.28 g/mol
- 단동위원소 질량
- 302.07903816
이름 및 식별자
- 우선 이름
- Divanillin
- IUPAC
- 3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
- 영어명
- 6,6'-DIHYDROXY-5,5'-DIMETHOXY-[1,1'-BIPHENYL]-3,3'-DICARBOXALDEHYDE
- 분자식
- C16H14O6
- 분자량
- 302.28
이름 및 동의어
2092-49-1DehydrodivanillinDivanillin5,5'-Bivanillin3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde[1,1'-Biphenyl]-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-29PYY1H4BTNSC-16723FEMA NO. 41073,3'-Biphenyldicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-DTXSID30862830(1,1'-Biphenyl)-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-
이름 더 보기
Dehydrovanillin6 6'-DIHYDROXY-5 5'-DIMETHOXY-(1 1'-BIP&6,6'-dihydroxy-5,5'-dimethoxy-(1,1'-biphen -yl)-35,5'-Dimethoxy-6,6'-dihydroxybiphenyl-3,3'-dicarbaldehyde2,2'-Dihydroxy-3,3'-dimethoxy-1,1'-biphenyl-5,5'-dicarbaldehyde
RefChem:589868DTXCID508115476,6'-Dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehydeMFCD001568886,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarboxaldehydeDehydrodivanillin (~90%, contains up to 10% unknown inorganics)6,6'-Dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-dicarboxaldehyde6,6'-DIHYDROXY-5,5'-DIMETHOXY-[1,1'-BIPHENYL]-3,3'-DICARBALDEHYDE
데이터베이스 식별자
- CAS
2092-49-1- PubChem CID
- 95086
- DTXSID
DTXSID30862830- ChEMBL
CHEMBL41304- UNII
- 29PYY1H4BT
- EC Number
- 639-022-6
- Nikkaji
- J104.111H
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 351
실험 및 물리화학적 성질
Solubility
Practically insoluble to insoluble in water; soluble in benzyl alcohol
Soluble (in ethanol)
Melting Point315.00 °C. @ 760.00 mm Hg
Physical DescriptionWhite solid; Fruity vanilla aroma
물리화학적 성질
- 녹는점
- 315 °C · 315 °C(lit.)
- 끓는 점
- 486.3 · 486.3±45.0 °C(Predicted)
- 밀도
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- FEMA
- 4107 · 4107 | DIVANILLIN
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- DMSO(약간), 에탄올(약간, 가열), 메탄올(약간)에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 6.62 · 6.62±0.48(Predicted)
- 색상
- 진한 갈색에서 매우 진한 회색까지
- 냄새
- 100 %에서 · 100.00%에서. 과일 바닐라
- 냄새 유형
- 바닐라
- JECFA Number
- 1881 · 1881
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 2 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.
유해성 정보
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesAcute Tox. 4 (99.3%)；Eye Irrit. 2 (100%)
규제 정보
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
안전 데이터
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26-36
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
응용 분야
용도Dehydrodivanillin is used as a reactant in the preparation of antioxidant phenolic diaryl hydrazones as antiangiogenic agents for atherosclerosis therapy. Also used as a taste enhancer.
상·하류 제품 정보
상류 원료
하류 제품
공급사44 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
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