4-Acetyl-4-methylheptanedinitrile

Modify Date: 2024-01-22 13:14:11

4-Acetyl-4-methylheptanedinitrile Structure
4-Acetyl-4-methylheptanedinitrile structure
 Common Name 4-Acetyl-4-methylheptanedinitrile
CAS Number 1681-17-0 Molecular Weight 178.231
Density 1.0±0.1 g/cm3 Boiling Point 381.3±37.0 °C at 760 mmHg
Molecular Formula C10H14N2O Melting Point 66-67°C
MSDS N/A Flash Point 184.4±26.5 °C

 Names

Name 4-acetyl-4-methylheptanedinitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 381.3±37.0 °C at 760 mmHg
Melting Point 66-67°C
Molecular Formula C10H14N2O
Molecular Weight 178.231
Flash Point 184.4±26.5 °C
Exact Mass 178.110611
PSA 64.65000
LogP -0.27
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.455

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MI9100000
CHEMICAL NAME :
Heptanedinitrile, 4-acetyl-4-methyl-
CAS REGISTRY NUMBER :
1681-17-0
BEILSTEIN REFERENCE NO. :
1769600
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H14-N2-O
MOLECULAR WEIGHT :
178.26
WISWESSER LINE NOTATION :
NC2X1&V1&2CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
312 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,689,1955

 Safety Information

Risk Phrases R20/21/22
Safety Phrases S22-S36/37
RIDADR 3276
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1

2-Butanone structure

2-Butanone

CAS#:78-93-3

~64%

4-Acetyl-4-methylheptanedinitrile Structure

4-Acetyl-4-meth...

CAS#:1681-17-0

Literature: Gray, George W.; Kelly, Stephen M. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1981 , p. 26 - 31
Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1

2-Butanone structure

2-Butanone

CAS#:78-93-3

~%

4-METHYL-5-OXO-HEXANENITRILE structure

4-METHYL-5-OXO-...

CAS#:10413-01-1

4-Acetyl-4-methylheptanedinitrile Structure

4-Acetyl-4-meth...

CAS#:1681-17-0

Literature: Industrial and Engineering Chemistry, , vol. 44, p. 1388 US2579580 , ;
3-chloropropiononitrile structure

3-chloropropion...

CAS#:542-76-7

~%

4-Acetyl-4-methylheptanedinitrile Structure

4-Acetyl-4-meth...

CAS#:1681-17-0

Literature: Journal of the American Chemical Society, , vol. 72, p. 3699
4-Penten-2-one, 4-methyl- structure

4-Penten-2-one,...

CAS#:3744-02-3

Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1

~%

4-Acetyl-4-methylheptanedinitrile Structure

4-Acetyl-4-meth...

CAS#:1681-17-0

Literature: Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, , vol. 264, p. 1186 - 1188
hydracrylonitrile structure

hydracrylonitrile

CAS#:109-78-4

2-Butanone structure

2-Butanone

CAS#:78-93-3

~%

4-Acetyl-4-methylheptanedinitrile Structure

4-Acetyl-4-meth...

CAS#:1681-17-0

Literature: US2437906 , ; Chem.Abstr., , p. 4196

 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

4-Acetyl-4-methylheptanedinitrile
4-Methyl-4-acetyl-pimelinsaeure-dinitril
Heptanedinitrile, 4-acetyl-4-methyl-
4-acetyl-4-methyl-heptanedinitrile
2,2-Bis(β-cyanoethyl)-3-butanone
γ-Acetyl-γ-methylpimelonitrile
2CN
HEPTANEDINITRILE,4-ACETYL-4-METHYL
MFCD00052863
3-Acetyl-3-methyl-pentan-1,5-dicarbonitril
4-Acetyl-4-methylpimelonitrile
4-Acetyl-4-methyl-heptandinitril
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