15-히드록시펜타데칸산
15-히드록시펜타데칸산 · 15-Hydroxytenate · OMEGA-HYDROXY C15:0 · 15 hydroxydecanoic acid · Lactic Acid Impurity 123 · 15-HYDROXYPENTADECANOATE · 15-Hydroxypentadecanoic acid · 15-HydroxypentadecanoicAcid>Pentadecanoic acid, 15-hydroxy-
식별자 및 물리적 특성
| CAS No. | 4617-33-8 |
|---|---|
| 분자식 | C15H30O3 |
| 평균 분자량 | 258.4 g/mol |
| 단동위원소 질량 | 258.21949481 g/mol |
| SMILES | O=C(O)CCCCCCCCCCCCCCO |
| InChIKey | BZUNJUAMQZRJIP-UHFFFAOYSA-N |
| PubChem CID | 78360 |
| ChEBI | CHEBI:79169 |
| EC No. | 225-026-1 |
| DTXSID | DTXSID00196750 |
| 현지명 | 15-히드록시펜타데칸산 |
화학 및 물리적 성질
| XLogP | 4.2 |
|---|---|
| 극성 표면적 | 57.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 14 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 181 |
| 녹는점 | 85-89 °C(lit.) |
| 끓는 점 | 174-220 °C(Press: 4 Torr) |
| 밀도 | 0.963±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(약간 용해됨, 초음파 처리), DMSO(약간 용해됨) |
| pKa(산도 계수) | 4.78±0.10(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| BRN | 1240100 |
| InChI | InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18) |
| InChIKey | BZUNJUAMQZRJIP-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCCCCCCCCCO |
화학적 성질
white to light yellow crystalline powder
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 2915907098 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25 |
| 기존화학 물질 | KE-20787 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
15-hydroxy Pentadecanoic acid is a hydroxylated fatty acid that has been used in the synthesis of the macrocyclic lactone musk compounds exaltolide and phoracantholide I. [Matreya, LLC. Catalog No. 1881]
용도
15-Hydroxypentadecanoic acid is suitable reagent used in the following studies: As an internal standard in the quantification of formation of 11-hydroxylauric acid by gas chromatography.In the synthesis of [16-14C]16DCA (DCA= dicarboxylic acid) by one-carbon elongation procedure at C15.As an internal standard for the normalization of intensities in the mass spectra of plant cutin polymer.It may be used in the synthesis of 5-pentadecanolide on dealuminated HY zeolite and also fatty acid analog of podophyllotoxin.
일반 설명
15-Hydroxypentadecanoic acid undergoes lactonization reaction catalyzed by Mucor javanicus L46 and Mucor miehei to afford macrocyclic mono- and oligolactone derivatives. Its lipase-catalyzed synthesis from 15-tetracosenoic acid in Malania Olcifera Chum oil has been proposed. It also participates in the biosynthesis of pentadecanolide.