옥산-2-온

Delta-Valerolactone

기본 정보

CAS: 26354-94-9
표준 SMILES: O=C1CCCCO1
InChIKey: OZJPLYNZGCXSJM-UHFFFAOYSA-N
분자식: C5H8O2
평균 분자량: 100.12 g/mol
단동위원소 질량: 100.05242949

개요

5-valerolactone is the simplest member of the class of delta-lactone that is tetrahydro-2H-pyran substituted by an oxo group at position 2. It derives from a hydride of an oxane.

이름 및 식별자

우선 이름: Delta-Valerolactone
IUPAC: oxan-2-one
현지명: 옥산-2-온
영어명: oxan-2-one
분자식: C5H8O2
분자량: 0

이름 및 동의어

delta-Valerolactone542-28-9TETRAHYDRO-2H-PYRAN-2-ONE5-Valerolactone2H-Pyran-2-one, tetrahydro-DTXSID6044438NSC-624714V1X9149LDTXCID4024438CHEBI:16545RefChem:585696208-807-1

이름 더 보기

옥산-2-온

oxan-2-onetetrahydropyran-2-oneTetrahydro-2-pyranonedelta-ValeryllactoneValerolactonePenta-1,5-lactone1-Oxacyclohexan-2-one26354-94-9

데이터베이스 식별자

CAS: 26354-94-9、542-28-9
PubChem CID: 10953
DTXSID: DTXSID6044438
ChEMBL: CHEMBL452383
ChEBI: CHEBI:16545
UNII: 14V1X9149L
EC Number: 208-807-1
Nikkaji: J6.398C

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 78.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

LogP-0.35

Flavoring AgentsEU Flavoring substances

Physical DescriptionCBI; Liquid

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H318 (99.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 683 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 6건

Chemical: 2H-Pyran-2-one, tetrahydro-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2H-Pyran-2-one, tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-2-one, tetrahydro- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: δ-valerolactone (EC: 208-807-1)

Tetrahydro-2H-pyran-2-one: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Dam. 1 (99.4%)

화학 및 산업

용도 및 제조

U.S. Production2023: 75,000 - <500,000 lb

Consumer UsesProcessing aids not otherwise specified

Industry UsesDispersing agent

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

2H-Pyran-2-one, tetrahydro-: ACTIVE

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 26354-94-9
표준 SMILES: O=C1CCCCO1
InChIKey: OZJPLYNZGCXSJM-UHFFFAOYSA-N
분자식: C5H8O2
평균 분자량: 100.12 g/mol
단동위원소 질량: 100.05242949

개요

5-valerolactone is the simplest member of the class of delta-lactone that is tetrahydro-2H-pyran substituted by an oxo group at position 2. It derives from a hydride of an oxane.