isoamyl mandelate
atractyl
Identification
| Name | isoamyl mandelate |
| CAS Number | 5421-04-5 |
| EINECS | 226-535-1 |
| FDA UNII | MCC49E3509 |
| Molecular Formula | C13 H18 O3 |
| Molecular Weight | 222.28406000 |
| MDL Number | MFCD00021858 |
| Nikkaji Number | J31.462E |
| XlogP3 | 2.90 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 323.50 °C. @ 760.00 mm Hg (est) |
| Flash Point | 266.00 °F. TCC ( 130.00 °C. ) (est) |
| logP (o/w) | 2.840 (est) |
| Soluble in | water, 701 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-mouse LD50 14500 mg/kg |
| Dermal Toxicity | subcutaneous-mouse LD50 23100 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for isoamyl mandelate usage levels up to | not for fragrance use. |
| Recommendation for isoamyl mandelate flavor usage levels up to | not for flavor use. |
Potential Uses
Natural Occurrence
Synonyms
atractyl
benzeneacetic acid, alpha-hydroxy-3-methylbutyl ester
alpha-
hydroxy-3-methylbutyl benzeneacetate
mandaverm
mandelic acid isoamyl ester
mandelic acid isopentyl ester
mandelic acid, isopentyl ester
3-
methylbutyl 2-hydroxy-2-phenylacetate
iso
pentyl phenyl glycolate
iso
pentyl phenylglycolate
spasmol
spasmostenyl
vermiparin
PubMed:
[Spasmol, myoscain & pyramidon, a therapeutically valuable drug combination].
PubMed:
[Pharmacological investigation of the spasmolytic effect of spasmol, iso-amylester of mandelic acid].
PubMed:
[Spasmol in internal therapy].
PubMed:
[Pharmacological properties of 1-methylbutyl-2-phenyl-2-hydroxypropionate (spasmol)].
PubMed:
[Mandaverm; new antiparasitic].