Mandelonitrile
Names
[ CAS No. ]:
532-28-5
[ Name ]:
Mandelonitrile
[Synonym ]:
2-hydroxy-2-phenylacetonitrile
hydroxyphenylacetonitrile
Hydroxy(phenyl)acetonitrile
Amygdalonitrile
UNII:584322E08A
α-Hydroxyphenylacetonitrile
phenyl-glycolonitril
Benzeneacetonitrile, α-hydroxy-
1-phenyl-1-hydroxy acetonitrile
EINECS 208-532-7
Mandelonitrile, (±)-
MANDELIC ACID NITRILE
Benzaldehydkyanhydrin
Phenylglycolonitrile
(±)-α-Hydroxybenzeneacetonitrile
Mandelonitrile
MANDELONITRILE,TECH.
α-Hydroxybenzeneacetonitrile
Benzaldehyde cyanohydrin
MFCD00004487
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
282.7±20.0 °C at 760 mmHg
[ Melting Point ]:
-10 °C
[ Molecular Formula ]:
C8H7NO
[ Molecular Weight ]:
133.147
[ Flash Point ]:
97.2±0.0 °C
[ Exact Mass ]:
133.052765
[ PSA ]:
44.02000
[ LogP ]:
0.83
[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C
[ Index of Refraction ]:
1.568
[ Stability ]:
Stable, but moisture sensitive. Combustible. Incompatible with strong oxidizing agents.
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- OO8400000
- CHEMICAL NAME :
- Mandelonitrile
- CAS REGISTRY NUMBER :
- 532-28-5
- BEILSTEIN REFERENCE NO. :
- 2207122
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C8-H7-N-O
- MOLECULAR WEIGHT :
- 133.16
- WISWESSER LINE NOTATION :
- QYR&CN
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 23 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5600 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 6 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - respiratory depression
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 600 ug/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - respiratory stimulation
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 225 nmol/plate
- REFERENCE :
- SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 198,625,1977
Safety Information
[ Symbol ]:
GHS05, GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301 + H311 + H331-H318
[ Precautionary Statements ]:
P261-P280-P301 + P310-P305 + P351 + P338-P311
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
T:Toxic;
[ Risk Phrases ]:
R23/24/25
[ Safety Phrases ]:
S22-S26-S36/37/39-S45
[ RIDADR ]:
UN 3276 6.1/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
OO8400000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1
[ HS Code ]:
2926909090
Synthetic Route
Customs
[ HS Code ]: 2926909090
[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Articles
Appl. Environ. Microbiol. 81 , 8469-77, (2015)
The nitrilase-mediated pathway has significant advantages in the production of optically pure aromatic α-hydroxy carboxylic acids. However, low enantioselectivity and activity are observed on hydrolyz...
Metabolites of amygdalin under simulated human digestive fluids.Int. J. Food Sci. Nutr. 61(8) , 770-9, (2010)
In the present study, degradation of amygdalin in the human digestive fluids and absorption of its metabolites by the human small intestine were evaluated by simulating a gastrointestinal digestion mo...
Hydroxynitrile lyase catalysis in ionic liquid-containing systems.Biotechnol. Lett. 27(18) , 1387-90, (2005)
The cleavage of mandelonitrile catalysed by hydroxynitrile lyases (HNL) from Prunus amygdalus (PaHNL) and Manihot esculenta (MeHNL) proceeded more rapidly in monophasic aqueous media containing 1-prop...