기본 정보
- 표준 SMILES
CC1OC(=O)C(C)OC1=O- InChIKey
JJTUDXZGHPGLLC-UHFFFAOYSA-N- 분자식
- C6H8O4
- 평균 분자량
- 144.12 g/mol
- 단동위원소 질량
- 144.04225874
개요
Lactide is a member of dioxanes.
이름 및 식별자
- 우선 이름
- Lactide
- IUPAC
- 3,6-dimethyl-1,4-dioxane-2,5-dione
- 현지명
- DL-락티드
- 영어명
- DL-Lactide
- 분자식
- C6H8O4
- 분자량
- 144.13
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
33135-50-1、95-96-5- PubChem CID
- 7272
- DTXSID
DTXSID7041253- ChEMBL
CHEMBL3185272- ChEBI
CHEBI:177651- UNII
- 7EH08MWO6M
- EC Number
- 202-468-3、608-832-1
- Nikkaji
- J4.715E
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 155
실험 및 물리화학적 성질
Physical Description
CBI
Solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 116 · 116-119 °C
- 끓는 점
- 142 °C8 · 142 °C8 mm Hg(lit.)
- 밀도
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- 증기압
- 0.311 Pa · 0.311Pa at 25℃
- 인화점
- 180 °C · 180°C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름과 메탄올에 용해됩니다. 벤젠에 약간 용해됩니다.
- 물리적 상태
- 결정성 분말
- 색상
- 하얀색
- 수용성
- 16.3 g/L · 16.3g/L at 20℃
- BRN
- 82121 · 82121
- 화장품 원료 기능
- 연마제피부 컨디셔닝
- InChI
- 1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3
- InChIKey
- JJTUDXZGHPGLLC-UHFFFAOYSA-N
- SMILES
- CC1OC(=O)C(C)OC1=O
- LogP
- 0.4 at · 0.4 at 25℃
- NIST
- 1 · 1,4-Dioxane-2,5-dione, 3,6-dimethyl-(95-96-5)
- EPA
- 1 · 1,4-Dioxane-2,5-dione, 3,6-dimethyl- (95-96-5)
화학적 성질
White crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 158 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
1,4-Dioxane-2,5-dione, 3,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Dioxane-2,5-dione, 3,6-dimethyl- 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: 13-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15774
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- JH1100000
- HS 번호
- 29322090
- risk_code
- 36/37/38-36
- hazard_code
- Xi
- safety_code
- 26-37/39
- 기존화학 물질
- KE-11339
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information
Plastics Product Manufacturing
1,4-Dioxane-2,5-dione, 3,6-dimethyl-: ACTIVE
응용 분야
용도DL-Lactide is used to produce 2-hydroxy-propionic acid 1-(1-phenyl-ethoxycarbonyl)-ethyl ester. It acts as an important raw material and an intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyes. It is involved in enzymatic alcoholysis to produce both alkyl (R)-lactates and alkyl (S,S)-lactyllactates.
일반 설명3,6-Dimethyl-1,4-dioxane-2,5-dione (or rac-lactide), is the 50:50 racemic mixture of D- and L-Lactide. Rac-lactide is a lactone derived from lactic acid that has attracted great interest in academia and commercial applications, as it is derived from abundant renewable resources. Rac-lactide can be ready polymerized via ring-opening polymerization, using a variety of metal or organocatalysts, yielding poly(D,L-lactide). While the resulting polymer is generally amorphous, the use of stereospecific catalysts can lead to heterotactic PLA, which exhibits some degree of crystallinity.
상·하류 제품 정보
하류 제품
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