2,2,6-트리메틸-4H-1,3-다이옥신-4-온

2,2,6-Trimethyl-4H-1,3-dioxin-4-one

HCID 79368CAS 5394-63-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1=CC(=O)OC(C)(C)O1
InChIKey
XFRBXZCBOYNMJP-UHFFFAOYSA-N
분자식
C7H10O3
평균 분자량
142.15 g/mol
단동위원소 질량
142.06299418

이름 및 식별자

우선 이름
2,2,6-Trimethyl-4H-1,3-dioxin-4-one
IUPAC
2,2,6-trimethyl-1,3-dioxin-4-one
현지명
2,2,6-트리메틸-4H-1,3-다이옥신-4-온
영어명
2,2,6-Trimethyl-4H-1,3-dioxin-4-one
분자식
C7H10O3
분자량
142.15

이름 및 동의어

2,2,6-Trimethyl-4H-1,3-dioxin-4-one5394-63-82,2,6-Trimethyl-1,3-dioxin-4-oneMFCD000404682,2,6-trimethyl-2,4-dihydro-1,3-dioxin-4-one4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-NSC-23912,2,6-Trimethyl-1,3-dioxen-4-one2,2,6-trimethyl-[1,3]dioxin-4-oneDiketene Acetone Adduct;Benidipine Impurity 16NSC2391
이름 더 보기
2,2,6-트리메틸-4H-1,3-다이옥신-4-온TKDDiketton Acetone AdductDIKETENE ACETONE ADDUCT2,2,6-TrimethyL-4H-1,3-dioxin-4-oneDIKETE ACETONE ADDUCT2,2,6-Trimethyl-4H-1,3-dioxin-Trimethyl-(4H)-1,3-dioxin-4-one
EINECS 226-403-3EC 226-403-3PET49NW99ASCHEMBL218538DTXSID10202230NSC 2391AKOS000120979CS-W016430

데이터베이스 식별자

CAS
5394-63-8
PubChem CID
79368
DTXSID
DTXSID10202230
UNII
PET49NW99A
EC Number
226-403-3
Nikkaji
J209.020A

물성

구조 계산 물성

XLogP
1.2
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

Physical DescriptionClear dark brown liquid; mp = 12-13 deg C; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
12 · 12-13 °C(lit.)
끓는 점
275 °C · ~275 °C(lit.)
밀도
1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.460(lit.)
인화점
67 °F · 67 °F
저장 조건
2 · 2-8°C

화학적 성질

Dark brown liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: 4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-

Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16365

Hazards SummaryContains 5-10% acetone (CAS# 67-64-1); Causes no skin and moderate eye irritation in rabbits; Targets the liver and kidney; [Sigma-Aldrich MSDS] See delta-Undecalactone and Dimethoxane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Eye Irrit. 2A (98.4%)

규제 정보

Regulatory Information · 2건

Chemical: 4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-

Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16365

안전 데이터

wgk
3
ridadr
UN 1993 3/PG 2
HS 번호
29329995
risk_code
11-36/37/38-36
hazard_code
F,Xi
safety_code
16-26-27-36/37/39-9-33

화학 및 산업

응용 분야

용도Diketene-Acetone Adduct can be used in place of diketene in many reactions. As a transportable form of diketene, it is especially important in those countries, where the transportation of diketene is not allowed or at least not desired.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

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