1-ACETOXY-1-CYANOETHYLENE

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Names

[ CAS No. ]:
3061-65-2

[ Name ]:
1-ACETOXY-1-CYANOETHYLENE

[Synonym ]:
1-Cyanovinyl acetate
2-Hydroxyacrylonitrile acetate
2-Acetoxyacrylonitrile
2-(Acetyloxy)-2-propenenitrile
1-Acetoxy-1-cyanoethylene
Acrylonitrile,2-hydroxy-,acetate
MFCD00001868
Acetic Acid 1-Cyanovinyl Ester
1-acetoxyacrylonitrile
EINECS 221-303-6

Chemical & Physical Properties

[ Density]:
1.061 g/mL at 20 °C(lit.)

[ Boiling Point ]:
80-82 °C30 mm Hg(lit.)

[ Molecular Formula ]:
C5H5NO2

[ Molecular Weight ]:
111.09900

[ Flash Point ]:
147 °F

[ Exact Mass ]:
111.03200

[ PSA ]:
50.09000

[ LogP ]:
0.58678

[ Vapour Pressure ]:
30 mm Hg ( 80 °C)

[ Index of Refraction ]:
n20/D 1.426(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG4550000
CHEMICAL NAME :
Acetic acid, 1-cyanovinyl ester
CAS REGISTRY NUMBER :
3061-65-2
BEILSTEIN REFERENCE NO. :
1751158
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C5-H5-N-O2
MOLECULAR WEIGHT :
111.11
WISWESSER LINE NOTATION :
NCYU1&OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,921,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,921,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
125 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
140 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

Safety Information

[ Symbol ]:

GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301 + H331-H310-H315-H318

[ Precautionary Statements ]:
P261-P280-P301 + P310-P302 + P350-P305 + P351 + P338-P310

[ 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 ]:
S36/37/39-S45-S26

[ RIDADR ]:
UN 3276 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
AG4550000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1(a)

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-trimethylsilyloxyprop-2-enenitrile
  • Ethanoic anhydride
  • ketene
  • HYDROGEN CYANIDE
  • 3-Chloro-2-acetyloxypropanenitrile
  • acetyl cyanide
  • Acetyl chloride
  • Pyridine
  • Diethyl ether
  • Triethylamine

DownStream

  • adamantaneacetic acid
  • S-Phenyl ethanethioate
  • phenylthioacetaldehyde cyanohydrin acetate
  • bicyclo[2.2.2]octane-2,5-dione
  • Acetanilide
  • ethyl acetate
  • Propanedinitrile,2-(acetyloxy)-2-methyl-
  • (1-cyano-2,2-diphenylcyclopropyl) acetate
  • (1-cyanospiro[cyclopropane-2,9'-fluorene]-1-yl) acetate

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%

Related Compounds

  • 1-acetoxy-1,2,2-trichloroethane
  • 1-acetoxy-1-methyl-siletane
  • 1-acetoxy-1-(4-methyl-cyclohexyl)-ethane
  • 1-Acetoxy-1-methyl-1,2-dihydro-benzocyclobuten
  • 1-acetoxy-1-(benzo[b]furan-3-yl)ethane
  • 1-acetoxy-1,2-dichloro-2-(4-nitro-phenylsulfanyl)-ethane