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(4-Methylphenyl)-1,2-ethanediol , CAS No.13603-62-8
주문 가능
Storage
Room temperature
Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
보관 조건
Room temperature
이름과 식별자
| 정식 스마일 | CC1=CC=C(C=C1)C(CO)O |
|---|---|
| IUPAC Name | 1-(4-methylphenyl)ethane-1,2-diol |
| InChIKey | LRVUCXFUHLHEDF-UHFFFAOYSA-N |
| INCHI | 1S/C9H12O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9-11H,6H2,1H3 |
| 분자량 | 152.190 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- 분류 Benzene and substituted derivatives
- Subclass Toluenes
- 분류 Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group. |
| External Descriptors | Not available |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 152.190 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 152.084 Da |
| Monoisotopic Mass | 152.084 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 106.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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리뷰
고객 리뷰
자주 묻는 질문
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 13603-62-8, the molecular formula is C9H12O2, and the molecular weight is 152.190 g/mol. InChIKey LRVUCXFUHLHEDF-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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