Mandelonitrile

Modify Date: 2024-01-03 14:42:13

Mandelonitrile Structure
Mandelonitrile structure
Common Name Mandelonitrile
CAS Number 532-28-5 Molecular Weight 133.147
Density 1.2±0.1 g/cm3 Boiling Point 282.7±20.0 °C at 760 mmHg
Molecular Formula C8H7NO Melting Point -10 °C
MSDS Chinese USA Flash Point 97.2±0.0 °C
Symbol GHS05 GHS06
GHS05, GHS06
Signal Word Danger

 Names

Name mandelonitrile
Synonym More Synonyms

 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.

 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
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%

 Articles30

More Articles
Protein engineering of a nitrilase from Burkholderia cenocepacia J2315 for efficient and enantioselective production of (R)-o-chloromandelic acid.

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...

 Synonyms

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
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