기본 정보
- 표준 SMILES
O=C1CCCC(=O)O1- InChIKey
VANNPISTIUFMLH-UHFFFAOYSA-N- 분자식
- C5H6O3
- 평균 분자량
- 114.1 g/mol
- 단동위원소 질량
- 114.03169405
개요
Glutaric anhydride is a cyclic dicarboxylic anhydride that is oxane which carries oxo groups at positions 2 and 6. It is used as an intermediate in the production of pharmaceuticals, corrosion inhibitors, and polymers (E.g. epoxy polyesters). It is a cyclic dicarboxylic anhydride and a member of oxanes. It is functionally related to a glutaric acid.
이름 및 식별자
- 우선 이름
- Glutaric anhydride
- IUPAC
- oxane-2,6-dione
- 현지명
- 글루타릭 안하이드라이드
- 영어명
- Glutaric anhydride
- 분자식
- C5H6O3
- 분자량
- 114.1
이름 및 동의어
GLUTARIC ANHYDRIDE108-55-4Dihydro-2H-pyran-2,6(3H)-dioneoxane-2,6-dionePentanedioic anhydrideGlutaric acid anhydridePyroglutaric acid2H-Pyran-2,6(3H)-dione, dihydro-Pentanedioic acid anhydrideAnhydrid kyseliny glutaroveDTXSID504436263OFI15S80
이름 더 보기
글루타릭안하이드라이드GANGlutamic AnhydrideTETRAHYDROPYRAN-2,6-DIONEutaric anhydrideGlutaric anhydridpyroglutaricacidGlutarsureanhydrid
NSC-166402H-Pyran-2,6(3H)-dione, dihydroDTXCID3024362CHEBI:167482RefChem:143700203-593-6MFCD00006679dihydro-3H-pyran-2,6-dione
데이터베이스 식별자
- CAS
108-55-4- PubChem CID
- 7940
- DTXSID
DTXSID5044362- ChEMBL
CHEMBL3188341- ChEBI
CHEBI:167482- UNII
- 63OFI15S80
- EC Number
- 203-593-6
- Nikkaji
- J49.215I
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 114
실험 및 물리화학적 성질
PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
SpringerMaterials PropertiesBoiling point
Physical Description
CBI; Dry Powder
Off-white flakes or crystals; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 50 · 50-55 °C (lit.)
- 끓는 점
- 150 °C/10 · 150 °C/10 mmHg (lit.)
- 밀도
- 1 · 1,411 g/cm3
- 증기압
- 0.05 hPa · 0.05 hPa (50 °C)
- 굴절률
- 1.463 · 1.4630 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 클로로포름, 에틸아세테이트에 용해됨
- 물리적 상태
- 결정질 분말 또는 결정
- 색상
- 흰색에서 황백색까지
- 수용성
- 가수 분해
- BRN
- 110051 · 110051
- InChI
- 1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2
- InChIKey
- VANNPISTIUFMLH-UHFFFAOYSA-N
- SMILES
- O=C1CCCC(=O)O1
- NIST
- 2 H-Pyran-2,6 · 2H-Pyran-2,6(3H)-dione, dihydro-(108-55-4)
- EPA
- 2 H-Pyran-2,6 · 2H-Pyran-2,6(3H)-dione, dihydro- (108-55-4)
화학적 성질
beige to light brown crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 270) of reports.
Danger
H302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 270 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2H-Pyran-2,6(3H)-dione, dihydro-
2H-Pyran-2,6(3H)-dione, dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-2,6(3H)-dione, dihydro- 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: 27-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11130
Glutaric anhydride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence, necrotic gastrointestinal changes, and diffuse hepatitis in oral lethal-dose studies of rats; [RTECS] An irritant that may cause serious eye injury; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See Acid Anhydrides.
Hazard Classes and CategoriesAcute Tox. 4 (98.5%)
독성 정보
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MA3850000
- ridadr
- 3261
- HS 번호
- 29171990
- risk_code
- 21/22-37/38-41-36/37/38-20/21/22
- hazard_code
- Xn
- safety_code
- 26-36/39-36/37/39-36
- 포장분류
- Ⅲ
- 위험 등급
- 8
- F 고인화성물질
- 2-21
- 자연 발화 온도
- 320 °C
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesUsed to make fine chemicals; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesFragrance
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Not Known or Reasonably Ascertainable
2H-Pyran-2,6(3H)-dione, dihydro-: ACTIVE
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상류 원료
하류 제품
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