기본 정보
- CAS
26776-70-5- 표준 SMILES
OC[C@@]1(O)CO[C@](O)(CO)CO1- InChIKey
KEQUNHIAUQQPAC-OLQVQODUSA-N- 분자식
- C6H12O6
- 평균 분자량
- 180.16 g/mol
- 단동위원소 질량
- 180.0633881
이름 및 식별자
- 우선 이름
- 1,3-Dihydroxyacetone Dimer
- IUPAC
- (2R,5S)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
- 영어명
- 1,3-Dihydroxyacetone dimer
- 분자식
- C3H6O3
- 분자량
- 90.08
이름 및 동의어
1,3-Dihydroxyacetone dimerDTXSID6040165RefChem:414482DTXCID101767981612-947-262147-49-3trans-2,5-Bis(hydroxymethyl)-1,4-dioxane-2,5-diol(2R,5S)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diolrel-(2R,5S)-2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-, trans-1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-, (2R,5S)-rel-MFCD29050396
이름 더 보기
DIHYDROXYACETONE DIMER1,3-Dihydroxyacetone diMer 97%1,3-Dihydroxyacetone Dimer >1,3-DIHYDROXY-2-PROPANONE DIMER1,3-Dihydroxypropan-2-one diMer2-Propanone,1,3-dihydroxy-, dimer2,5-DIHYDROXYDIOXANE-2,5-DIMETHANOL1,3-Dihydroxyacetone dimer,2,5-Dihydroxydioxane-2,5-dimethanol
MV3DRS5T3HSCHEMBL4071,3-Dihydroxyacetone dimmerDihydroxyacetone (dimeric form)orb2941855KEQUNHIAUQQPAC-OLQVQODUSA-NFEMA NO. 4033 (dimeric form)TSW-00176
데이터베이스 식별자
- CAS
26776-70-5、62147-49-3- PubChem CID
- 2723627
- DTXSID
DTXSID6040165- UNII
- MV3DRS5T3H
- EC Number
- 612-947-2、693-027-8
- Nikkaji
- J1.220.341A
물성
구조 계산 물성
- XLogP
- -3.1
- 극성 표면적
- 99.4 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 144
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Solubility
Slightly soluble in water
Soluble (in ethanol)
Physical DescriptionHygroscopic, crystalline, white to off-white powder; Sweet, cooling, aroma
물리화학적 성질
- 녹는점
- 75 · 75-80 °C (lit.)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에 거의 녹지 않음
- Merck
- 14 · 14,3182
- JECFA Number
- 1716 · 1716
- BRN
- 112910 · 112910
- InChI
- 1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2
- InChIKey
- KEQUNHIAUQQPAC-UHFFFAOYSA-N
- SMILES
- OCC1(O)COC(O)(CO)CO1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 17.2% (11 of 64) of reports.
Warning
H315 (82.8%): 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 64 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-, (2R,5S)-rel-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (82.8%)
Skin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2932.99.9090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
응용 분야
용도1,3-Dihydroxyacetone Dimer is used in the synthesis of dihydropyrimidine calcium channel blockers. Also used in the preparation of a new antineoplastic and antifilarial agents as anticancer agents.
공급사56 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
昌邑市隆昌生物化工有限公司+86-13256193735; +86-13256193735 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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