(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate（CAS番号：147126-62-3）

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate

基本情報

編集器で閲覧

CAS番号

147126-62-3

分子式

C14H24O4S

分子量

288.41 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品界面活性剤アニオン性界面活性剤

基本的な物理特性

融点

98-101°C

沸点

402.3°C at 760 mmHg

引火点

402.3 °C at 760 mmHg

屈折率

1.527

比旋光度

-48--60° (c=1, MeOH)

SMILES

編集器で閲覧

CC1CCC(C(C1)OC(=O)C2OC(CS2)O)C(C)C

InChI

InChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)17-13(16)14-18-12(15)7-19-14/h8-12,14-15H,4-7H2,1-3H3/t9-,10+,11-,12-,14-/m1/s1

InChIKey

KXKDZLRTIFHOHW-CYRBOEJBSA-N

LogP

2.3983000000000008

トポロジカル極性表面積

55.760000000000005 Å²

水素結合ドナー/アクセプター

1 / 4

複雑度

321

安全情報

安全情報を表示

危険性の表示

H302 飲み込むと有害
急性毒性（経口）

H315 皮膚刺激
皮膚腐食性/刺激性

H319 強い眼刺激
眼に対する重篤な損傷性/眼刺激性

H335 呼吸器への刺激のおそれ
特定標的臓器毒性（単回ばく露）；気道刺激性

同義語と引用データ

英語

KXKDZLRTIFHOHW-CYRBOEJBSA-N
(2R,5R)-5-Hydroxy[1,3]oxathiolane-2-carboxylic Acid L-Menthol Ester
(2R,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl5-hydroxy-1,3-oxathiolane-2-carboxylate
(2S,5R)-5-Hydroxy-[1,3]-oxathiolane-2-carboxylic acid menthyl ester
MFCD08273790
(2R)-5-Hydroxy[1,3]oxathiolane-2-carboxylic Acid L-menthol Ester
(1R,2S,5R)-Menthol-5R-hydroxy-[1,3]-oxathiolane-2R-carboxylate
J-501004
(2R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-
AS-12489
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate
DTXSID90933035
EC 604-569-1
CS-0154345
(2R,5R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
SCHEMBL7868215
(2R,5R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid L-menthyl ester
147126-62-3
AKOS025296263
AC-561
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate
5-methyl-2-(propan-2-yl)cyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate
(2R,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate
HME
(2r,5r)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl ester
[1r-[1a(2r*,5r*),2b,5a]]-5-hydroxy-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
(2R,5R)-5-Hydroxy-[1,3]-oxathiolane-2-carboxylic acid menthyl ester (HME)
(2R,5R)-5-Hydroxy-[1,3]-oxathiolane-2-carboxylic acid menthyl ester
(1R,2S,5R)-Menthol-5
(1R,2S,5R)-Menthyl-5R-hydroxy-[1,3]-oxathiolane-2R-carboxylate