α-环己基-DL-扁桃酸

CAS号
4335-77-7 ;50896-04-3
CCD编号
CCD00092328
分子式
C14 H18 O3
分子量
234.293

基本信息

产品名称: α-环己基-DL-扁桃酸
CAS: 4335-77-7 ;50896-04-3
中文同义词: α-环己基-DL-扁桃酸 ; 2'-环己基扁桃酸 ; α-环己基扁桃酸 ; 2-环己基-2-羟基-2-苯乙酸 ; 2-环己基-2-羟基苯乙酸 ; -环己基-DL-扁桃酸 ; 环己基扁桃酸
英文同义词: ALPHA-CYCLOHEXYL-DL-MANDELIC ACID ; CYCLOHEXYLMANDELIC ACID ; 2-CYCLOHEXYL-2-HYDROXY-PHENYLACETIC ACID ; 2-CYCLOHEXYL-2-HYDROXY-PHENYLACETIC ACID,WHITE SOLID ; ALPHA-CYCLOHEXYLMANDELIC ACID ; 2-CYCLOHEXYL-2-PHENYLGLYCOLIC ACID ; 2-CYCLOHEXYLMANDELIC ACID ; 2-CYCLOHEXYL-2-HYDROXY-2-PHENYLACETIC ACID ; A-CYCLOHEXYL-A-HYDROXYPHENYL ACETIC ACID ; CYCLOHEXYL-HYDROXY-PHENYL-ACETIC ACID ; ALPHA-CYCLOHEXYL-ALPHA-HYDROXYPHENYL ACETIC ACID ; CYCLOHEXYLMANDELIC ACID, 98% ; CYCLOHEXYLPHENYLGLYCOLIC ACID ; A-CYCLOHEXYLMANDELIC 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 GHS05 GHS07 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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