기본 정보
- 표준 SMILES
OCC1CC2C3CC(CO)C(C3)C2C1- InChIKey
ZFZDWMXUMXACHS-UHFFFAOYSA-N- 분자식
- C12H20O2
- 평균 분자량
- 196.29 g/mol
- 단동위원소 질량
- 196.14632988
이름 및 식별자
- 우선 이름
- Hexahydro-4,7-methanoindan-2,5-dimethanol
- IUPAC
- [8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
- 현지명
- 옥타히드로-4,7-메타노-1H-인덴-2,5-디메탄올
- 영어명
- octahydro-4,7-methano-1H-indene-2,5-dimethanol
- 분자식
- C12H20O2
- 분자량
- 196.29
이름 및 동의어
28132-01-64,7-Methano-1H-indene-2,5-dimethanol, octahydro-Octahydro-4,7-methano-1H-indene-2,5-dimethanol61GSS6WMRMHexahydro-4,7-methanoindan-2,5-dimethanolEINECS 248-857-1NSC 76048NSC-76048AI3-51330Tricyclo(5.2.1.02,6)decane-4,8-dimethylolTricyclo(5.2.1.02,6)decane-4,9-dimethylolTricyclo[5.2.1.02,6]decane-4,8-dimethanol
이름 더 보기
옥타히드로-4,7-메타노-1H-인덴-2,5-디메탄올4,8-Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane, mixture of isomersTricyclo[5.2.1.02,6]decane-4,8-bismethanol
DTXSID608654154,7-METHANOINDAN-2,5-DIMETHANOL, HEXAHYDRO-TRICYCLO(5.2.1.02,6)DECANE-4,8-DIMETHANOLRefChem:786147DTXCID70813826248-857-1(Octahydro-1H-4,7-methanoindene-2,5-diyl)dimethanol4,8-Bis(hydroxymethyl)tricyclo[5.2.1.0(2,6)]decane
데이터베이스 식별자
- CAS
28132-01-6- PubChem CID
- 98091
- DTXSID
DTXSID60865415- UNII
- 61GSS6WMRM
- EC Number
- 248-857-1
- Nikkaji
- J250.659I
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 228
물리화학적 성질
- 끓는 점
- 356.7 · 356.7±10.0 °C(Predicted)
- 밀도
- 1.111 · 1.111±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.98 · 14.98±0.10(Predicted)
- LogP
- 1.617 · 1.617 (est)
- EPA
- 4 · 4,7-Methano-1H-indene-2,5-dimethanol, octahydro- (28132-01-6)
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 113 reports by companies from 1 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 InformationChemical: 4,7-Methano-1H-indene-2,5-dimethanol, octahydro-
Hazard Classes and CategoriesEye Irrit. 2 (100%)
규제 정보
Regulatory InformationChemical: 4,7-Methano-1H-indene-2,5-dimethanol, octahydro-
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information4,7-Methano-1H-indene-2,5-dimethanol, octahydro-: ACTIVE
공급사5 곳
BOC Sciences[email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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