basic_info |
|
| Product_Name： | 2-CYCLOHEXYLMANDELIC ACID |
| CAS： | 4335-77-7 ;50896-04-3 |
| EnglishSynonyms： | CYCLOHEXYLMANDELIC ACID ; ALPHA-CYCLOHEXYL-ALPHA-HYDROXYPHENYL ACETIC ACID ; A-CYCLOHEXYL-A-HYDROXYPHENYL ACETIC ACID ; CYCLOHEXYLPHENYLGLYCOLIC ACID ; ALPHA-CYCLOHEXYL-DL-MANDELIC ACID ; A-CYCLOHEXYLMANDELIC ACID ; 2-CYCLOHEXYL-2-HYDROXY-PHENYLACETIC ACID ; 2-CYCLOHEXYL-2-HYDROXY-2-PHENYLACETIC ACID ; ALPHA-CYCLOHEXYLMANDELIC ACID ; CYCLOHEXYLMANDELIC ACID, 98% ; 2-CYCLOHEXYL-2-HYDROXY-PHENYLACETIC ACID,WHITE SOLID ; CYCLOHEXYL-HYDROXY-PHENYL-ACETIC ACID ; 2-CYCLOHEXYL-2-PHENYLGLYCOLIC ACID ; 2-CYCLOHEXYLMANDELIC 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 |
|
| 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 |
|
| 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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