기본 정보
- CAS
105-75-9- 표준 SMILES
CCCCOC(=O)/C=C/C(=O)OCCCC- InChIKey
JBSLOWBPDRZSMB-BQYQJAHWSA-N- 분자식
- C12H20O4
- 평균 분자량
- 228.28 g/mol
- 단동위원소 질량
- 228.13615912
개요
1,4-dibutyl but-2-enedioate has been reported in Festuca rubra with data available.
이름 및 식별자
- 우선 이름
- Dibutyl fumarate
- IUPAC
- dibutyl (E)-but-2-enedioate
- 현지명
- 포름산디노르말부틸에스테르
- 영어명
- Dibutyl fumarate
- 분자식
- C12H20O4
- 분자량
- 228.28
이름 및 동의어
DIBUTYL FUMARATE105-75-9Staflex DBFDi-n-butyl fumarateStafex DBFRC Comonomer DBFFumaric acid, dibutyl esterDibutylester kyseliny fumaroveCQM31Z1NU92-Butenedioic acid (2E)-, 1,4-dibutyl esterNSC-140RefChem:586519
이름 더 보기
다이뷰틸푸마르산포름산디노르말부틸에스테르다이뷰틸 푸마르산FUMARIC ACID DI-N-BUTYL ESTERdibutylesterFumaric acid dibutylstafexdbfstaflexDBFBisomer DBFbutylfumarate
203-327-9Butyl fumaratedibutyl (E)-but-2-enedioate2-Butenedioic acid (E)-, dibutyl esterMFCD00065141dibutyl (2E)-but-2-enedioate(E)-dibutyl butenedioateWLN: 4OV1U1VO4-T
데이터베이스 식별자
- CAS
105-75-9、82807-35-0- PubChem CID
- 5271570
- DTXSID
DTXSID7021865- ChEMBL
CHEMBL1771640、CHEMBL3247950- UNII
- CQM31Z1NU9
- EC Number
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 209
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesFusion temperature
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
Clear nearly colorless liquid; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- -18 °C · -18 °C
- 끓는 점
- 141 °C · 141 °C (8 mmHg)
- 밀도
- 0.98 · 0.98
- Pour Point
- -1 · -1
- 증기압
- 0.164 Pa · 0.164Pa at 20℃
- 굴절률
- 1.4455 · 1.4455-1.4475
- 인화점
- 90 °C · 90°C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- Insoluble in water
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (7 of 315) of reports.
Warning
H317 (96.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 315 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Butenedioic acid, (E)-, dibutyl ester
2-Butenedioic acid (2E)-, 1,4-dibutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenedioic acid (2E)-, 1,4-dibutyl 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: Dibutyl fumarate (EC: 203-327-9)
2-Butenedioic acid (2E)-, dibutyl ester: 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.
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Sens. 1 (96.5%)
안전 데이터
- tsca
- TSCA listed
- rtecs
- LT1225000
- HS 번호
- 29171900
- risk_code
- 36/37/38
- safety_code
- 24/25-36/37/39-26
- 기존화학 물질
- KE-03913
화학 및 산업
용도 및 제조
U.S. Production2023: 62,628 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information
Plastics Product Manufacturing
2-Butenedioic acid (2E)-, 1,4-dibutyl ester: ACTIVE
응용 분야
용도Dibutyl fumarate is used as a comonomer for the production of polystyrene.
제조 방법
생산 방법Dibutyl fumarate is produced by direct esterification of n-Butanol with Fumanc acid.
상·하류 제품 정보
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