basic_info |
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| Product_Name： | α-环己基-DL-扁桃酸 |
| CAS： | 4335-77-7 ;50896-04-3 |
| 中文同义词： | -环己基-DL-扁桃酸 ; 2-环己基-2-羟基苯乙酸 ; 2-环己基-2-羟基-2-苯乙酸 ; 环己基扁桃酸 ; α-环己基扁桃酸 ; 2'-环己基扁桃酸 ; α-环己基-DL-扁桃酸 |
| EnglishSynonyms： | CYCLOHEXYL-HYDROXY-PHENYL-ACETIC ACID ; 2-CYCLOHEXYL-2-HYDROXY-PHENYLACETIC ACID,WHITE SOLID ; 2-CYCLOHEXYL-2-HYDROXY-PHENYLACETIC ACID ; 2-CYCLOHEXYL-2-HYDROXY-2-PHENYLACETIC ACID ; CYCLOHEXYLPHENYLGLYCOLIC ACID ; ALPHA-CYCLOHEXYL-DL-MANDELIC ACID ; A-CYCLOHEXYL-A-HYDROXYPHENYL ACETIC ACID ; CYCLOHEXYLMANDELIC ACID, 98% ; 2-CYCLOHEXYLMANDELIC ACID ; A-CYCLOHEXYLMANDELIC ACID ; ALPHA-CYCLOHEXYLMANDELIC ACID ; 2-CYCLOHEXYL-2-PHENYLGLYCOLIC ACID ; CYCLOHEXYLMANDELIC ACID ; ALPHA-CYCLOHEXYL-ALPHA-HYDROXYPHENYL ACETIC ACID |
| pro_mdlNumber： | MFCD00194543 |
| pro_acceptors： | 3 |
| pro_donors： | 2 |
| pro_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 |
property |
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| MeltingPoint： | 170-175 DEG C |
| Comments： | 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 |
secure_info |
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| secure_symbol： |
GHS05
GHS07
|
| secure_signal_word： | Danger |
| secure_risk_stmt： | H315-H318-H335 |
| secure_cautionary_stmt： | P261-P280-P305 + P351 + P338 |
| secure_damage_code： | Xi |
| secure_risk_disclosure_stmt： | R:37/38-41 |
| secure_security_stmt： | S:26-39 |
| secure_wgk_germany： | 3 |
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