기본 정보
- 표준 SMILES
CC1(CO)COCOC1- InChIKey
XZDDZTGNCUMJHI-UHFFFAOYSA-N- 분자식
- C6H12O3
- 평균 분자량
- 132.16 g/mol
- 단동위원소 질량
- 132.07864424
이름 및 식별자
- 우선 이름
- 5-Methyl-1,3-dioxane-5-methanol
- IUPAC
- (5-methyl-1,3-dioxan-5-yl)methanol
- 현지명
- 5-하이드록시메틸-5-메틸-1,3-다이옥산
- 영어명
- 5-Hydroxymethyl-5-methyl-1,3-dioxane
- 분자식
- C6H12O3
- 분자량
- 132.16
이름 및 동의어
5-Hydroxymethyl-5-methyl-1,3-dioxane5-Methyl-1,3-dioxane-5-methanol1,3-Dioxane-5-methanol, 5-methyl-m-DIOXANE-5-METHANOL, 5-METHYL-NSC 139452BRN 01044766MS07786ZBNSC-139452UNII-6MS07786ZBDTXSID201499205-19-02-00358 (Beilstein Handbook Reference)5-methyl-5-hydroxymethyl-1,3-dioxane
이름 더 보기
5-하이드록시메틸-5-메틸-1,3-다이옥산5-methyl-m-dioxane-5-methano(5-METHYL-1,3-DIOXAN-5-YL)METHANOL5-Hydroxymethyl-5-methyl-1,3-dioxane,97%5-HYDROXYMETHYL-5-METHYL-1,3-DIOXANE 97%
5-METHYL-5-(1,3)DIOXANEMETHANOL(5-METHYL(1,3)DIOXAN-5-YL)METHANOLFORMALDEHYDE CYCLIC 2-(HYDROXYMETHYL)-2-METHYLTRIMETHYLENE ACETALRefChem:103085DTXCID20724111,3-Dioxane-5-methanol, 5-methyl-(9CI)654-807-31121-97-7
데이터베이스 식별자
- CAS
1121-97-7- PubChem CID
- 14278
- DTXSID
DTXSID20149920- UNII
- 6MS07786ZB
- EC Number
- 654-807-3
- Nikkaji
- J42.116B
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 38.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 86
물리화학적 성질
- 끓는 점
- 184.08 °C · 184.08°C (rough estimate)
- 밀도
- 1.12 · 1.12
- 굴절률
- 1.4565 · 1.4565-1.4585
- 산도 계수 (pKa)
- 14.58 · 14.58±0.10(Predicted)
화학적 성질
clear colorless viscous liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.；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 InformationChemical: 1,3-Dioxane-5-methanol, 5-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
규제 정보
Regulatory InformationChemical: 1,3-Dioxane-5-methanol, 5-methyl-
안전 데이터
- 독성
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04177,
- safety_code
- 24/25
화학 및 산업
공급사5 곳
上海桤源科技有限公司13818304948
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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