2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane

HCID 62105CAS 55704-78-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1(O)CSC(C)(O)CS1
InChIKey
NHKIYYMFGJBOTK-UHFFFAOYSA-N
분자식
C6H12O2S2
평균 분자량
180.3 g/mol
단동위원소 질량
180.02787197

이름 및 식별자

우선 이름
2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
IUPAC
2,5-dimethyl-1,4-dithiane-2,5-diol
영어명
Dimeric mercapto propanone
분자식
C6H12O2S2
분자량
180.29

이름 및 동의어

2,5-Dimethyl-1,4-dithiane-2,5-diol55704-78-42,5-Dimethyl-2,5-dihydroxy-1,4-dithiane2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane2-Mercaptopropanone1,4-Dithiane-2,5-diol, 2,5-dimethyl-meaty dithianeFEMA No. 34502,5-Dimethyl-2,5-dihydroxy-p-dithiane2,5-DIMETHYL-[1,4]DITHIANE-2,5-DIOL2,5-Dimethyl-p-dithiane-2,5-diolDTXSID3047683
이름 더 보기
2,5-dimethyl-2,5-dihydroxy-1,4-disulphocyclohexaneCyclodithalfarol-705Mercaptoacetone dimerDineric mercapto acetoneDiMethyl-2,5-dihydroxy-1Dimer of mercaptoacetoneDiMeril Merapto propanoneDimeric mercapto propanone
EINECS 259-770-3NSC 176174NSC-176174DTXCID1027683N99176196Z2,5-Dimethyl-1,4-dithian-2,5-diolP-DITHIANE-,2,5-DIOL, 2,5-DIMETHYL-2,5-DIMETHYL-(1,4)DITHIANE-2,5-DIOL

데이터베이스 식별자

CAS
55704-78-4
PubChem CID
62105
DTXSID
DTXSID3047683
ChEMBL
CHEMBL3181874
ChEBI
CHEBI:178973
UNII
N99176196Z
EC Number
259-770-3
Nikkaji
J285.273J

물성

구조 계산 물성

XLogP
0.6
극성 표면적
91.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

Solubility · 3건

slightly

slightly soluble in water; soluble in alcohol

(in ethanol)

Boiling Point326.00 to 327.00 °C. @ 760.00 mm Hg
Melting Point81.00 to 83.00 °C. @ 760.00 mm Hg
Physical Descriptionwhite crystalline solid

물리화학적 성질

녹는점
64 °C · 64 °C
끓는 점
283.13 °C · 283.13°C (rough estimate)
밀도
1.147 · 1.147 (estimate)
굴절률
1.539 · 1.5390 (estimate)
FEMA
3450 · 3450 | 2,5-DIMETHYL-2,5-DIHYDROXY-1,4-DITHIANE
인화점
47 °C · 47°C

화학적 성질

white to light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1378 reports by companies from 4 notifications to the ECHA C&L Inventory.；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 · 3건

Chemical: 1,4-Dithiane-2,5-diol, 2,5-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

1,4-Dithiane-2,5-diol, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.1%)

규제 정보

Regulatory Information · 3건

Chemical: 1,4-Dithiane-2,5-diol, 2,5-dimethyl-

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

1,4-Dithiane-2,5-diol, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3335
HS 번호
2934.99.9001
risk_code
11-36/37/38
hazard_code
F;Xi,Xi,F

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information1,4-Dithiane-2,5-diol, 2,5-dimethyl-: ACTIVE

응용 분야

출처Reported found in heated pork.

용도2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane is a useful reactant for the preparation of tetrahydrothiopyranols via a [3+3]-annulation of cyclopropane diesters.

상·하류 제품 정보

상류 원료

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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