4-Acetyl-4-methylheptanedinitrile

Modify Date: 2025-08-25 16:48:52

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

Name	4-acetyl-4-methylheptanedinitrile
Synonym	More Synonyms

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

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

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

Acrylonitrile

CAS#:107-13-1

2-Butanone

CAS#:78-93-3

~64%

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

CAS#:107-13-1

2-Butanone

CAS#:78-93-3

4-METHYL-5-OXO-...

CAS#:10413-01-1

4-Acetyl-4-meth...

CAS#:1681-17-0

Literature: Industrial and Engineering Chemistry, , vol. 44, p. 1388 US2579580 , ;

3-chloropropion...

CAS#:542-76-7

4-Acetyl-4-meth...

CAS#:1681-17-0

Literature: Journal of the American Chemical Society, , vol. 72, p. 3699

4-Penten-2-one,...

CAS#:3744-02-3

Acrylonitrile

CAS#:107-13-1

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

CAS#:109-78-4

2-Butanone

CAS#:78-93-3

4-Acetyl-4-meth...

CAS#:1681-17-0

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

Precursor 5
CAS#:107-13-1 Acrylonitrile CAS#:78-93-3 2-Butanone CAS#:542-76-7 3-chloropropion... CAS#:3744-02-3 4-Penten-2-one,...
CAS#:109-78-4 hydracrylonitrile
DownStream 5
CAS#:5122-77-0 4-hydroxy-1-met... CAS#:2035-91-8 diethyl 4-acety... CAS#:19830-09-2 4-ACETYL-4-METH... CAS#:6848-93-7 4-acetyl-4-meth...
CAS#:56579-29-4 1,4-dimethylbic...

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%

4-Acetyl-4-methylheptanedinitrile

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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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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4-Acetyl-4-methylheptanedinitrile
Price: Check
Purity: 97.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Heptanedinitrile,4-acetyl-4-methyl-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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4-Acetyl-4-methylheptanedinitrile

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Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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Synthetic Route

Precursor & DownStream

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.