ChemicalBook--->CAS DataBase List--->78-97-7

78-97-7

78-97-7 Structure

78-97-7 Structure
IdentificationMore
[Name]

Lactonitrile
[CAS]

78-97-7
[Synonyms]

2-HYDROXYETHYL CYANIDE
2-HYDROXYPROPANENITRILE
2-HYDROXYPROPIONITRILE
ACETALDEHYDCYANOHYDRIN
ACETALDEHYDE CYANOHYDRIN
DL-LACTONITRILE
ETHYLIDENE CYANOHYDRIN
LACTONITRILE
2-hydroxy-propanenitril
2-Hydroxypropannitril
2-hydroxy-propionitril
Acetocyanohydrin
alpha-Hydroxypropionitrile
Laktonitril
nsc7764
propanenitrile,2-hydroxy-
Propionitrile, 2-hydroxy-
DL-LACTONITRILE, STAB.
acetaldehydcyanhydrin
2-hydroxypropylnitrile
[EINECS(EC#)]

201-163-2
[Molecular Formula]

C3H5NO
[MDL Number]

MFCD00004507
[Molecular Weight]

71.08
[MOL File]

78-97-7.mol
Chemical PropertiesBack Directory
[Melting point ]

-40.15°C
[Boiling point ]

90 °C17 mm Hg(lit.)
[density ]

0.991 g/mL at 20 °C(lit.)
[vapor pressure ]

15.9Pa at 25℃
[refractive index ]

n20/D 1.404
[Fp ]

77 °C
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

11.38±0.20(Predicted)
[color ]

Colourless
[BRN ]

605366
[Dielectric constant]

38.4(20℃)
[LogP]

-0.32 at 25℃
[CAS DataBase Reference]

78-97-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanenitrile, 2-hydroxy-(78-97-7)
[EPA Substance Registry System]

78-97-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T+,T
[Risk Statements ]

R23/25:Toxic by inhalation and if swallowed .
R27:Very Toxic in contact with skin.
R25:Toxic if swallowed.
R20:Harmful by inhalation.
[Safety Statements ]

S13:Keep away from food, drink and animal feeding stuffs .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

UN 3276 6.1/PG 1
[WGK Germany ]

3
[RTECS ]

OD8225000
[HazardClass ]

6.1(a)
[PackingGroup ]

II
[Hazardous Substances Data]

78-97-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Acrylonitrile-->Acrylic acid-->Butyl acrylate-->Lactic acid-->Ethyl lactate-->2-(4-ISOBUTYLPHENYL)PROPANENITRILE-->Methyl lactate-->3,5-DICHLORO-6-METHYL-1,4-OXAZIN-2-ONE-->-aMinopropanaMide-->2-BROMOPROPIONITRILE
Hazard InformationBack Directory
[General Description]

Straw colored liquid. Used as a solvent /intermediate in production of ethyl lactate and lactic acid.
[Reactivity Profile]

LACTONITRILE(78-97-7) is incompatible with strong acids, strong bases and strong reducing agents. LACTONITRILE(78-97-7) is also incompatible with strong oxidizers. In the presence of alkali, LACTONITRILE(78-97-7) evolves toxic compounds. .
[Air & Water Reactions]

Water soluble.
[Health Hazard]

Extremely toxic by oral, skin, or eye contact.
[Fire Hazard]

Cyanide fumes released when heated to decomposition. Avoid alkali, oxidizing material.
[Description]

Lactonitrile is a colorless to straw-coloredliquid. Molecular weight= 71.09; Boiling point= 183℃(slight decomposition); FreezingMelting point= - 40℃;Flash point= 77℃. Hazard Identification (based on NFPA-704M Rating System): Health 3, Flammability 2,Reactivity 0. Soluble in water.
[Chemical Properties]

Lactonitrile, is soluble in water and alcohol, but insoluble in diethyl ether and carbon disulfide. Lactonitrile is used chiefly to manufacture lactic acid and its derivatives, primarily ethyl lactate.
[Uses]

2-Hydroxypropanenitrile is a useful compound for efficient lactamide synthesis by fed batch method using nitrile hydratase of Rhodococcus pyridinivorans NIT-36.
[Uses]

It is used primarily as a solvent, and as an intermediate in production of ethyl acetate and lactic acid.
[Production Methods]

Lactonitrile is derived from acetaldehyde and hydrocyanic acid.
[Production Methods]

Lactonitrile is manufactured from equimolar amounts of acetaldehyde and hydrogen cyanide containing 1.5% of 20% NaOH at ?10–20 °C. The product is stabilized with sulfuric acid. Sulfuric acid hydrolyzes the nitrile to give a mixture of lactic acid and ammonium bisulfate. This mixture can be purified by adding methanol to form methyl lactate which is separated from the ammonium bisulfate. The methyl lactate is distilled, then hydrolyzed back to the aqueous acid. Removal of most of the water yields 90% lactic acid.
[Potential Exposure]

This material is used as a solvent andas an intermediate in the production of ethyl lactate and lac-tic acid.
[First aid]

If this chemical gets into the eyes, remove anycontact lenses at once and irmigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek med-ical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal prec autions, includ-ing resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medi-cal attention. GiveI large quantities of water and inducevomiting. Do not make an unconscious person vomit.
[storage]

Color Code-B lue: Health Hazard/Poison: Storein a secure poison location.Prior to working with this chemical you should be trained on its proper handling andstorage. Store in tighty closed containers in a cool, well-venti lated area away from oxidizers and alkalis. Store in arefrigerator under an inert atmosphere and protect fromlight for prolonged storage. Where possible, automaticallypump liquid from drums or other storage containers to pro-cess cont ainers.
[Shipping]

Nitriles,toxic,n.o.s.mustbelabeled“POISONOUS/TOXIC MATERIALS." This chemical fallsin Hazard Class 6.1.
[Incompatibilities]

Alkalis form hydrogen cyanide. Violentreaction with strong oxidizers.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Lactonitrile(78-97-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Lactonitrile(78-97-7)MS
Lactonitrile(78-97-7)13CNMR
Lactonitrile(78-97-7)IR1
Lactonitrile(78-97-7)IR2
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