2,2,4-트리메틸펜테인-1,3-다이일 디벤조에이트

Trimethylpentanediyl dibenzoate

HCID 107080CAS 68052-23-3

기본 정보

표준 SMILES
CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c1ccccc1
InChIKey
FTSXVYQZLNPTCM-UHFFFAOYSA-N
분자식
C22H26O4
평균 분자량
354.4 g/mol
단동위원소 질량
354.18310931

이름 및 식별자

우선 이름
Trimethylpentanediyl dibenzoate
IUPAC
(3-benzoyloxy-2,2,4-trimethylpentyl) benzoate
현지명
2,2,4-트리메틸펜테인-1,3-다이일 디벤조에이트
영어명
2,2,4-Trimethyl-1,3-pentanediol dibenzoate
분자식
C22H26O4
분자량
354.44

이름 및 동의어

68052-23-32,2,4-Trimethylpentane-1,3-diyl dibenzoate2,2,4-Trimethyl-1,3-pentanediol dibenzoatetrimethylpentanediyl dibenzoateDTXSID80412422,2,4-Trimethyl-1,3-pentanediol, dibenzoate1,3-Pentanediol, 2,2,4-trimethyl-, dibenzoateY8PB83G67AEINECS 268-316-3BENZOFLEX 354DTXCID60212421,3-Pentanediol, 2,2,4-trimethyl-, 1,3-dibenzoate
이름 더 보기
2,2,4-트리메틸펜테인-1,3-다이일디벤조에이트트라이메틸펜탄다이일다이벤조에이트TPB 354Trimethylpentanediol dibenzoate3-pentanediol,2,2,4-trimethyl-dibenzoateDibenzoic acid 2,2,4-trimethyl-1,3-pentanediyl
2,2,4-TRIMETHYL-1,3-PENTANEDIYL DIBENZOATERefChem:899884(+-)-TRIMETHYLPENTANEDIYL DIBENZOATETRIMETHYLPENTANEDIYL DIBENZOATE [INCI]TRIMETHYLPENTANEDIYL DIBENZOATE, (+-)-268-316-3(3-benzoyloxy-2,2,4-trimethylpentyl) benzoateUNII-Y8PB83G67A

데이터베이스 식별자

CAS
68052-23-3
PubChem CID
107080
DTXSID
DTXSID8041242
ChEMBL
CHEMBL3185078
UNII
Y8PB83G67A
EC Number
268-316-3
Nikkaji
J288.992G

물성

구조 계산 물성

XLogP
5.9
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
9
무거운 원자 수
26

실험 및 물리화학적 성질

Physical DescriptionLiquid
Collision Cross Section194.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8041242]

물리화학적 성질

끓는 점
225 · 225-227 °C55 mm Hg(lit.)
밀도
1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.532(lit.)
인화점
230 °F · >230 °F
화장품 원료 기능
가소제
EPA
1 · 1,3-Pentanediol, 2,2,4-trimethyl-, dibenzoate (68052-23-3)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (15 of 15) of all reports.

Not Classified

Aggregated GHS information provided per 15 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

1,3-Pentanediol, 2,2,4-trimethyl-, 1,3-dibenzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Pentanediol, 2,2,4-trimethyl-, 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)

1,3-Pentanediol, 2,2,4-trimethyl-, 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.

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
3
tsca
TSCA listed
기존화학 물질
KE-34638

화학 및 산업

용도 및 제조

U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

1,3-Pentanediol, 2,2,4-trimethyl-, 1,3-dibenzoate: ACTIVE

공급사14 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

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1건

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