기본 정보
- CAS
1725-03-7- 표준 SMILES
O=C1CCCCCCCCCCO1- InChIKey
MVOSYKNQRRHGKX-UHFFFAOYSA-N- 분자식
- C11H20O2
- 평균 분자량
- 184.27 g/mol
- 단동위원소 질량
- 184.14632988
개요
11-Undecanolactone is a macrolide.
이름 및 식별자
- 우선 이름
- Undecalactone
- IUPAC
- oxacyclododecan-2-one
- 현지명
- 운데카놀라이드
- 영어명
- UNDECANOLIDE
- 분자식
- C11H20O2
- 분자량
- 184.28
이름 및 동의어
Oxacyclododecan-2-one1725-03-711-Undecanolactoneundecalactone39282-36-511-Hydroxyundecanoic acid, lactoneUndecanoic acid, hydroxy-, lactone4E2392MT4HEINECS 217-034-9EINECS 254-399-3AI3-37206RefChem:901022
이름 더 보기
운데카놀라이드omega-undecalactoneOcacyclododecan-2-one12-oxacyclododecan-1-oneOxacyclododecan-2-one 98%11-Hydroxyundecanoicacid,lactone11-Hydroxyundecanoic acid 1,11-lactone1-Oxa-2-cyclododecanone, 11-Undecanolide, Undecanoic ω-lactone
DTXSID701014918217-034-9undecanolide1-oxacyclododecan-2-one2-oxacyclododecan-1-one34817-44-2UNII-4E2392MT4HOxycyclododecane-2-one
데이터베이스 식별자
- CAS
1725-03-7、39282-36-5- PubChem CID
- 74409
- DTXSID
DTXSID4061915- ChEBI
CHEBI:34136- UNII
- 4E2392MT4H
- EC Number
- 217-034-9、254-399-3
- Nikkaji
- J203.123J
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 143
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
SpringerMaterials PropertiesBoiling point
물리화학적 성질
- 녹는점
- 2 · 2-3 °C (lit.)
- 끓는 점
- 124 · 124-126 °C/13 mmHg (lit.)
- 밀도
- 0.992 g/mL · 0.992 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.47(lit.)
- 인화점
- 230 °F · >230 °F
- 물리적 상태
- liquid
- BRN
- 119564 · 119564
- InChI
- 1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2
- InChIKey
- MVOSYKNQRRHGKX-UHFFFAOYSA-N
- SMILES
- O=C1CCCCCCCCCCO1
- LogP
- 3.058 · 3.058 (est)
- EPA
- -2 · Oxacyclododecan-2-one (1725-03-7)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
유해성 정보
Regulatory Information
Chemical: Oxacyclododecan-2-one
Chemical: Undecanoic acid, hydroxy-, lactone
REACH registered substance: Undecanolactone (EC: 254-399-3)
Other Safety Information
IMAP assessments - Undecanoic acid, hydroxy-, lactone: Human health tier I assessment
IMAP assessments - Oxacyclododecan-2-one: Human health tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
Oxacyclododecan-2-one: ACTIVE
Undecanoic acid, hydroxy-, lactone: ACTIVE
응용 분야
용도Oxacyclododecan-2-one may be used in the preparation of 11-hydroxyundecanoic acid.
일반 설명Oxacyclododecan-2-one, a 12-membered lactone, is a macrocyclic ester. Anionic ring opening polymerization of oxacyclododecan-2-one and its comparison with ε-caprolactone has been reported.
상·하류 제품 정보
하류 제품
공급사2 곳
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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