Basic information
- CAS
135806-59-6- Standard SMILES
COc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)O)O2- InChIKey
MNBMVDGIDVXTOF-HNNXBMFYSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Names & identifiers
- Preferred name
- (S)-6-Methoxy-2,5,7,8-tetramethylchromane-2-carboxylic acid
- IUPAC
- (2S)-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
- English name
- (S)-6-METHOXY-2,5,7,8-TETRAMETHYLCHROMANE-2-CARBOXYLIC ACID
- Molecular formula
- C15H20O4
- Molecular weight
- 264.32
Names & synonyms
135806-59-6(S)-6-Methoxy-2,5,7,8-tetramethylchromane-2-carboxylic acidDTXSID20350938RefChem:211124DTXCID90302005(2S)-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid(S)-6-Methoxy-2,5,7,8-tetramethylchroman-2-carboxylic acid(2S)-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acidMNBMVDGIDVXTOF-HNNXBMFYSA-NSCHEMBL1286094AKOS022180916CS-0110150
Show more names
(S)-Trolox?methyl ether(S)-TROLOX(TM) METHYL ETHER(S)-Trolox methyl ether2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-methoxy-2,5,7,8-tetramethyl-, (2S)-
EN300-7473128F617389(S)-6-Methoxy-2,5,7,8-tetramethylchroman-2-carboxylicacid(S)-Trolox methyl ether, for chiral derivatization, >=98.0%
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 143 · 143-145 °C
- Boiling point
- 416.8 · 416.8±45.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- pka
- 3.31 · 3.31±0.20(Predicted)
- form
- powder
- optical activity
- 20 · [α]20/D 69±2°, c = 1% in ethanol
- BRN
- 5481541 · 5481541
- InChI
- 1S/C15H20O4/c1-8-9(2)13-11(10(3)12(8)18-5)6-7-15(4,19-13)14(16)17/h6-7H2,1-5H3,(H,16,17)/t15-/m0/s1
- InChIKey
- MNBMVDGIDVXTOF-HNNXBMFYSA-N
- SMILES
- COc1c(C)c(C)c2O[C@@](C)(CCc2c1C)C(O)=O
- UNSPSC Code
- 12000000 · 12000000
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses(S)-Trolox methyl ether may be used as a chiral derivatizing reagent for the following: analysis of chiral alcohols by capillary gas chromatography (GC) and supercritical fluid chromatography (SFC) enantiomeric separation of several benzodiazepines using gas chromatography (GC), supercritical fluid chromatography (SFC) and subcritical fluid chromatography techniques
Suppliers9 total
Aladdin Scientific[email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
南京友杰医药科技有限公司18860950986 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京贝开思医药科技有限公司+86-13912903754 13912903754 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京汉海征程医药科技有限公司15850673134 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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