Dibenzoylmethane (HCID 8433)

이름 및 식별자

우선 이름: Dibenzoylmethane
IUPAC: 1,3-diphenylpropane-1,3-dione
현지명: 1,3-디페닐-1,3-프로판디온
영어명: Dibenzoylmethane
분자식: C15H12O2
분자량: 224.25

이름 및 동의어

Dibenzoylmethane120-46-71,3-Diphenylpropane-1,3-dione1,3-DIPHENYL-1,3-PROPANEDIONE1,3-Propanedione, 1,3-diphenyl-2-BenzoylacetophenonePhenyl phenacyl ketoneomega-BenzoylacetophenoneRhodiastab 83Karenzu DK2DTXSID3041247ANS7ME8OKC

이름 더 보기

1,3-디페닐-1,3-프로판디온DBM1,3-Diphenylpropanedione1,3-diphenyl-3-propanedionekarenzudk2phenylphenacylketoneDBM83

NSC-6266DTXCID1021247CHEBI:75417204-398-9RefChem:132859GAMMA-HYDROXYCHALKONE1,3-Diphenyl-propane-1,3-dioneDibenzoyl-methane

데이터베이스 식별자

CAS: 120-46-7
PubChem CID: 8433
DTXSID: DTXSID3041247
ChEMBL: CHEMBL371523
ChEBI: CHEBI:75417
UNII: ANS7ME8OKC
EC Number: 204-398-9
Nikkaji: J10.072B

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 243

실험 및 물리화학적 성질

Physical Description · 2건

Large Crystals; Dry Powder

Solid; [Merck Index] Light yellow crystalline powder; [Alfa Aesar MSDS]

Collision Cross Section165.9 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041247]；154.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3041247]

물리화학적 성질

녹는점: 77 · 77-79 °C(lit.)
끓는 점: 219 · 219-221 °C18 mm Hg(lit.)
밀도: 0.8 g/cm3 · 0.800 g/cm3
증기압: 0.01 Pa · 0.01Pa at 20℃
굴절률: 1.66 · 1.6600 (estimate)
인화점: 219 · 219-221°C/18mm
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
산도 계수 (pKa): 8.95 · 8.95±0.10(Predicted)
물리적 상태: 크리스탈
색상: 밝은 노란색에서 노란색까지
수용성: 에테르, 클로로포름 및 수산화나트륨 수용액에 용해됩니다. 물에 불용성.
Merck: 14 · 14,3009
BRN: 514910 · 514910
Henry's Law Constant: 7.5 · 7.5×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
안정성: 안정적인. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey: NZZIMKJIVMHWJC-UHFFFAOYSA-N
SMILES: O=C(CC(=O)c1ccccc1)c2ccccc2
LogP: 4.59 at · 4.59 at 25℃
NIST: 1 · 1,3-Propanedione, 1,3-diphenyl-(120-46-7)
EPA: 1 · 1,3-Propanedione, 1,3-diphenyl- (120-46-7)

화학적 성질 · 1건

Dibenzoylmethane (DB), a minor constituent of the root extract of licorice, belongs to the flavonoid family. It is a colorless rhombus flake crystal or yellowish-white powder. soluble in chlorohydrin and chloroform, soluble in sodium hydroxide solution, insoluble in sodium carbonate solution, and very slightly soluble in water. It is used as a colorimetric reagent for the determination of uranium.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 32.7% (84 of 257) of reports.

Warning

H317 (66.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 257 reports by companies from 6 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 84 of 257 reports by companies.；There are 5 notifications provided by 173 of 257 reports by companies with hazard statement code(s).；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 Information · 4건

Chemical: 1,3-Propanedione, 1,3-diphenyl-

1,3-Propanedione, 1,3-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanedione, 1,3-diphenyl- 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)

Status: Active Update: 13-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11371

1,3-Propanedione, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses changes in liver and uterine weights in 2-week constant oral studies of mice; [RTECS] May cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Sens. 1 (66.1%)

규제 정보

Regulatory Information · 4건

Chemical: 1,3-Propanedione, 1,3-diphenyl-

1,3-Propanedione, 1,3-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanedione, 1,3-diphenyl- 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)

Status: Active Update: 13-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11371

1,3-Propanedione, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TZ1930000
독성: rat,LD,oral,> 500mg/kg (500mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 28, 1953.
HS 번호: 29143900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25
기존화학 물질: KE-12099
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]

U.S. Production2023: 700,000 - <850,000 lb；2022: 850,000 - <1,000,000 lb；2021: 550,000 - <700,000 lb；2020: 700,000 - <850,000 lb

Consumer UsesHeat stabilizer；Other

Industry UsesProcessing aids not otherwise specified；Heat stabilizer；Other

Use Classification · 2건

Plastics -> Other stabilisers

Plastics -> Polymer Type -> PVC (soft); PVC (rigid); PET

General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing；All Other Chemical Product and Preparation Manufacturing；Plastics Product Manufacturing

1,3-Propanedione, 1,3-diphenyl-: ACTIVE

응용 분야 · 2건

출처Dibenzoylmethane(DBM) is a 1,3-diketone derivative of acetylacetone that has both methyl groups replaced with phenyl groups.Although smaller in size and lacking hydroxyl and methoxy groups，DBM resembles the turmeric spice curcumin (CUR),a diferuloylmethane. Both molecules are metal-chelating agents，contain a B-diketone flanked by two aryl groups,and exhibit anti-proliferative and anticarcinogenic activity. In addition to sharing structural similarity with DBM,CUR,which is also a naturally occurring compound is found in the plant Curcuma longa and has numerous medicinal uses.DBM and its many naturally occurring derivatives are minor constituentsof licorice. DBM has been isolated from licorice root extracts and otherspecies of Glycyrrhiza.

용도Dibenzoylmethane is a new kind of PVC heat stabilizer, it has better transparency, nontoxic and odorless. In case of combined use with Calcium/Zinc, Barium/Zin and other heat stabilizer, it can greatly improve the initial color, transparency, long term stability of PVC, and also can improve the precipitation and “zinc burning” problem during the process. It has very good synergy with zinc soaps, and can protect the PVC color. This material can absorb UV at 290nm, which has the effect as light stabilizer and act as long term stabilizer for PVC products.

제조 방법

dibenzoylmethane is prepared by condensation of ethyl benzoate with acetophenone.

상·하류 제품 정보

하류 제품

3,5-디페닐피라졸 1,2,4,5-tetraphenylbenzene 1,2-비스(p-톨릴설포닐)하이드라진,N,Nμ-디토실하이드라진,4-메틸벤젠설폰산2-[(4-메틸페닐)설포닐]하이드라지드 3-Benzoyl-2-phenylnaphtho[2,3-b]furan-4,9-dione 1-Butanone, 4-(4-nitrophenyl)-1-phenyl-

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

추가 설명 · 1건

정의ChEBI: Dibenzoylmethane is a beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. It has a role as an antineoplastic agent, a metabolite and an antimutagen. It is a beta-diketone and an aromatic ketone.