CAS 5421-04-5 MFCD00021858-Isoamyl DL-Mandelate DL-扁桃酸异戊酯 TAO{mole}

Isoamyl DL-Mandelate DL-扁桃酸异戊酯

CAS 5421-04-5 MFCD00021858

化学结构图

SMILES: CC(C)CCOC(=O)C(O)c1ccccc1

化学属性

Mol. Formula	C13H18O3
Mol. Weight	222.28
Refractive index	1.4940 to 1.4990
Boiling Point	169°C/18mmHg(lit.)

别名和识别编码

Chemical Name	Isoamyl DL-Mandelate
MDL Number	MFCD00021858
CAS Number	5421-04-5
Synonym	Isopentyl phenylglycolate 异戊基 DL-扁桃酸酯 Mandaverm Spasmostenyl Atractyl Mandelic acid, isopentyl ester Vermiparin alpha-Hydroxy-3-methylbutyl benzeneacetate Isoamyl mandelate Spasmol Mandelic acid isoamyl ester
PubChem Substance ID	87572724
Reaxys-RN	2725652
Merck Number	5718
Chemical Name Translation	DL-扁桃酸异戊酯
LabNetwork Molecule ID	LN00221356
InChI	InChI=1S/C13H18O3/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3

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安全信息

WGK Germany3

GHS Symbol

Hazard statements

H315 Causes skin irritation 会刺激皮肤

Signal word Warning

Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSCY1633900

Precautionary statements

P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P302+P352+P332+P313+P362+P364
P332+P313
P305+P351+P338+P337+P313
P302+P350
P337+P313
P305+P351+P338

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 14500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 2,165,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 23100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 2,165,1952