Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Isobutyl cyanoacetate
Price: Check
Purity: 98.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Isobutyl cyanoacetate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

13361-31-4

13361-31-4 structure

13361-31-4 structure

Name: Isobutyl cyanoacetate
Chemical Name: Isobutyl Cyanoacetate
CAS Number: 13361-31-4
Molecular Formula: C₇H₁₁NO₂
Molecular Weight: 141.16800
Catalog: Flavors and spices Synthetic spice Carboxylic acid and ester perfume Aliphatic carboxylate
Create Date: 2018-05-25 08:00:00
Modify Date: 2025-08-25 19:34:36

Name	Isobutyl Cyanoacetate
Synonyms	2-methylpropyl 2-cyanoacetate Isobutyl cyanoacetate Cyanoacetic Acid Isobutyl Ester EINECS 236-422-9 MFCD00044320 Isobutyl 2-cyanoacetate

Density	0.99
Boiling Point	112 °C (16 mmHg)
Melting Point	-26ºC
Molecular Formula	C₇H₁₁NO₂
Molecular Weight	141.16800
Flash Point	106 °C
Exact Mass	141.07900
PSA	50.09000
LogP	1.09928
Vapour Pressure	0.304mmHg at 25°C
Index of Refraction	1.4212-1.4232
Water Solubility	IMMISCIBLE

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AG4250000

CHEMICAL NAME :: Acetic acid, cyano-, isobutyl ester

CAS REGISTRY NUMBER :: 13361-31-4

BEILSTEIN REFERENCE NO. :: 1761677

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H11-N-O2

MOLECULAR WEIGHT :: 141.19

WISWESSER LINE NOTATION :: NC1VO1Y1&1

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 :: 4520 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 13FEB1981

Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
RTECS	AG4250000
HS Code	2926909090

78-83-1 structure

78-83-1

372-09-8 structure

372-09-8

~84%

13361-31-4 structure

13361-31-4

Literature: Plietker, Bernd; Dieskau, Andre; Moews, Katrin; Jatsch, Anja Angewandte Chemie - International Edition, 2008 , vol. 47, # 1 p. 198 - 201

Precursor 2
78-83-1 372-09-8
DownStream 1
78-83-1

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%

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