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펜타에리쓰리톨 테트라벤조에이트

Pentaerythrityl Tetrabenzoate

HCID 20167
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
4196-86-5
표준 SMILES
O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1)c1ccccc1
InChIKey
MINJAOUGXYRTEI-UHFFFAOYSA-N
분자식
C33H28O8
평균 분자량
552.6 g/mol
단동위원소 질량
552.17841785

개요

2,2-bis((benzoyloxy)methyl)dibenzoate-1,3-propanediol is a cream-colored solid. (NTP, 1992)

이름 및 식별자

우선 이름
Pentaerythrityl Tetrabenzoate
IUPAC
[3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate
현지명
펜타에리쓰리톨 테트라벤조에이트
영어명
Pentaerythritol tetrabenzoate
분자식
C33H28O8
분자량
552.57

이름 및 동의어

Pentaerythritol tetrabenzoatePentaerythrityl TetrabenzoateUniplex 552CCRIS 59712,2-Bis((benzoyloxy)methyl)-1,3-propanediol dibenzoateDTXSID80246081,3-Propanediol, 2,2-bis((benzoyloxy)methyl)-, dibenzoateEINECS 224-079-8U7L44GIS4OPentaerythritol, tetrabenzoateNSC 166502BRN 3513249
이름 더 보기
펜타에리쓰리톨테트라벤조에이트펜타에리트리톨테트라벤조산염펜타에리트리톨테트라벤조산염(PENTAERYTHRITOLTETRABENZOATE)펜타에리스리틸테트라벤조에이트펜타에리스리톨테트라벤조에이트benzoflexs-552Pentaerythritol tetrabenoatePentaerythriol TetrabenzoatePentaerythritolTetrabenzoate>PENTAERYTHRITOL TETRABENZOATE 97%PENTAERYTHRITOL TETRABENZOATE 98+%benzoicacid,tetraesterwithpentaerythritol2,2-BIS((BENZOYLOXY)METHYL)DIBENZOATEPROPANEDIOL2,2-Bis(hydroxymethyl)-1,3-propanediol tetrabenzoate
2,2-Bis((benzoyloxy)methyl)dibenzoate propanediolBENZOFLEX S 552NSC-166502DTXCID8046081,3-Propanediol, 2,2-bis((benzoyloxy)methyl)-, 1,3-dibenzoate1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, dibenzoateBIS((BENZOYLOXY)METHYL)-1,3-PROPANEDIOL DIBENZOATE, 2,2-2,2-BIS[(BENZOYLOXY)METHYL]-1,3-PROPANEDIOL DIBENZOATE

물성

구조 계산 물성

XLogP
6.5
극성 표면적
105 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
16
무거운 원자 수
41
형식 전하
0
복잡도
704

실험 및 물리화학적 성질

CosmeticsCosmetic ingredients (Pentaerythrityl Tetrabenzoate) -> CIR (Cosmetic Ingredient Review)
Density1.2801 at 86 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Melting Point207 to 212 °F (NTP, 1992)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2건

2,2-bis((benzoyloxy)methyl)dibenzoate-1,3-propanediol is a cream-colored solid. (NTP, 1992)

Other Solid

물리화학적 성질

녹는점
102 · 102-104 °C(lit.)
끓는 점
583.14 °C · 583.14°C (rough estimate)
밀도
1.1594 · 1.1594 (rough estimate)
증기압
0 Pa · 0Pa at 20℃
굴절률
1.6 · 1.6000 (estimate)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
solid

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.4% (2 of 565) of reports.

Warning

H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 565 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, dibenzoate

1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, 1,3-dibenzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, 1,3-dibenzoate 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: Pentaerythritol tetrabenzoate (EC: 224-079-8)

1,3-Propanediol, 2,2-bis(benzoyloxy)methyl-, dibenzoate: 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.

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits acrid smoke and irritating fumes. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile · 1건

An esterl. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

화학 및 산업

용도 및 제조

UsesCIR ingredient: Pentaerythrityl Tetrabenzoate
U.S. Production2023: <75,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information · 2건

Rubber Product Manufacturing

1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, 1,3-dibenzoate: ACTIVE

응용 분야

용도Plasticizer

일반 설명Cream-colored solid.

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
4196-86-5
PubChem CID
20167
DTXSID
DTXSID8024608
ChEMBL
CHEMBL1533629
UNII
U7L44GIS4O
EC Number
224-079-8
Nikkaji
J53.723C
색상
황백색 고체
냄새
가벼운 냄새
수용성
10 μg/L · 10μg/L at 20℃
안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI
1S/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey
MINJAOUGXYRTEI-UHFFFAOYSA-N
SMILES
O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4
LogP
6.2 at · 6.2 at 25℃
EPA
2 · 2,2-Bis((benzoyloxy)methyl)-1,3-propanediol dibenzoate (4196-86-5)

화학적 성질

cream-coloured powder

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (99.6%)

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
RZ2605000
독성
LD50 orl-rat: 10 g/kg NPIRI* 2,83,75
risk_code
22
hazard_code
Xn
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids
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