基本信息 |
|
| 产品名称： | α-环己基-DL-扁桃酸 |
| CAS： | 50896-04-3 ;4335-77-7 |
| 中文同义词： | 2-环己基-2-羟基苯乙酸 ; α-环己基扁桃酸 ; 环己基扁桃酸 ; -环己基-DL-扁桃酸 ; 2-环己基-2-羟基-2-苯乙酸 ; 2'-环己基扁桃酸 ; α-环己基-DL-扁桃酸 |
| 英文同义词： | ALPHA-CYCLOHEXYLMANDELIC ACID ; 2-CYCLOHEXYLMANDELIC ACID ; 2-CYCLOHEXYL-2-HYDROXY-2-PHENYLACETIC ACID ; CYCLOHEXYLPHENYLGLYCOLIC ACID ; 2-CYCLOHEXYL-2-HYDROXY-PHENYLACETIC ACID ; CYCLOHEXYLMANDELIC ACID ; ALPHA-CYCLOHEXYL-DL-MANDELIC ACID ; 2-CYCLOHEXYL-2-PHENYLGLYCOLIC ACID ; CYCLOHEXYL-HYDROXY-PHENYL-ACETIC ACID ; CYCLOHEXYLMANDELIC ACID, 98% ; 2-CYCLOHEXYL-2-HYDROXY-PHENYLACETIC ACID,WHITE SOLID ; A-CYCLOHEXYLMANDELIC ACID ; ALPHA-CYCLOHEXYL-ALPHA-HYDROXYPHENYL ACETIC ACID ; A-CYCLOHEXYL-A-HYDROXYPHENYL ACETIC ACID |
| MDL号： | MFCD00194543 |
| 氢键受体数量： | 3 |
| 氢键供体数量： | 2 |
| Smile： | c1ccc(cc1)C(C2CCCCC2)(C(=O)O)O |
| InChi： | InChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16) |
| InChiKey： | InChIKey=YTRNSQPXEDGWMR-UHFFFAOYSA-N |
性质 |
|
| 熔点： | 170-175 DEG C |
| 注解： | OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. 706418.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN RTECS: GV2770000 WGK: 3 |
安全信息 |
|
| 符号： |
GHS05
GHS07
|
| 信号词： | Danger |
| 危险声明： | H315-H318-H335 |
| 警示性声明： | P261-P280-P305 + P351 + P338 |
| 危害码： | Xi |
| 风险声明： | R:37/38-41 |
| 安全声明： | S:26-39 |
| WGK德国： | 3 |
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