Acetonitrile,2-(acetyloxy)

Modify Date: 2025-09-13 18:51:31

Acetonitrile,2-(acetyloxy) Structure
Acetonitrile,2-(acetyloxy) structure
Common Name Acetonitrile,2-(acetyloxy)
CAS Number 1001-55-4 Molecular Weight 99.08800
Density 1.083g/cm3 Boiling Point 164ºC at 760 mmHg
Molecular Formula C4H5NO2 Melting Point N/A
MSDS N/A Flash Point 61.7ºC

 Names

Name Acetonitrile,2-(acetyloxy)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.083g/cm3
Boiling Point 164ºC at 760 mmHg
Molecular Formula C4H5NO2
Molecular Weight 99.08800
Flash Point 61.7ºC
Exact Mass 99.03200
PSA 50.09000
LogP 0.07308
Vapour Pressure 2mmHg at 25°C
Index of Refraction 1.402
InChIKey AJEHNBIPLQJTNU-UHFFFAOYSA-N
SMILES CC(=O)OCC#N

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MC7700000
CHEMICAL NAME :
Glycolonitrile, acetate
CAS REGISTRY NUMBER :
1001-55-4
BEILSTEIN REFERENCE NO. :
1745113
LAST UPDATED :
199806
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C4-H5-N-O2
MOLECULAR WEIGHT :
99.10
WISWESSER LINE NOTATION :
NC1OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,343,1949
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
43 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948

 Safety Information

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%

 Synonyms

Glycolic acid,acetate
2-acetoxyacetonitrile
Acetoxy-acetonitril
Acetylglykolsaeurenitril
acetoxy-acetic acid
acetoxyacetonitrile
(Acetyloxy)acetic acid
HO2CCH2CO2Me
Acetic acid,(acetyloxy)
cyanomethyl acetate
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