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METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE, a colorless liquid with the molecular formula C11H23NO2, is a chemical compound that belongs to the ester class. It is derived from butylamine and 2-methylpropanoic acid, characterized by its fruity, banana-like odor. Known for its low toxicity and safety profile, it is a favored ingredient in the fragrance and flavor industry, used for enhancing scents in various consumer products.

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  • 13604-68-7 Structure
  • Basic information

    1. Product Name: METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE
    2. Synonyms: METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE;NSC47798
    3. CAS NO:13604-68-7
    4. Molecular Formula: C9H19NO2
    5. Molecular Weight: 173.25
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 13604-68-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 229.9°Cat760mmHg
    3. Flash Point: 92.8°C
    4. Appearance: /
    5. Density: 0.912g/cm3
    6. Vapor Pressure: 0.0678mmHg at 25°C
    7. Refractive Index: 1.43
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE(13604-68-7)
    12. EPA Substance Registry System: METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE(13604-68-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 13604-68-7(Hazardous Substances Data)

13604-68-7 Usage

Uses

Used in Fragrance Industry:
METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE is used as a scent enhancer for its distinctive fruity, banana-like aroma, contributing to the creation of various perfumes and cosmetics. Its ability to add depth and complexity to fragrances makes it a valuable component in this application.
Used in Flavor Industry:
In the flavor industry, METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE is used as a flavoring agent to impart a subtle banana-like taste to food products, enhancing their overall flavor profile and consumer appeal.
Used in Food Additives:
METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE is used as a food additive to provide a natural, fruity flavor to a wide range of food products, from beverages to confectionery items, without compromising on safety due to its low toxicity.
Used in Cosmetics:
In the cosmetics industry, METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE is used as an ingredient to add a pleasant, fruity scent to products, improving the sensory experience for consumers while maintaining product safety.

Check Digit Verification of cas no

The CAS Registry Mumber 13604-68-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,6,0 and 4 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 13604-68:
(7*1)+(6*3)+(5*6)+(4*0)+(3*4)+(2*6)+(1*8)=87
87 % 10 = 7
So 13604-68-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H19NO2/c1-4-5-6-10-7-8(2)9(11)12-3/h8,10H,4-7H2,1-3H3

13604-68-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name METHYL 3-(BUTYLAMINO)-2-METHYLPROPANOATE

1.2 Other means of identification

Product number -
Other names 2-methyl-3-butylaminopropionic acid methyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13604-68-7 SDS

13604-68-7Relevant articles and documents

Aza-Michael mono-addition using acidic alumina under solventless conditions

Bosica, Giovanna,Abdilla, Roderick

, (2016/07/07)

Aza-Michael reactions between primary aliphatic and aromatic amines and various Michael acceptors have been performed under environmentally-friendly solventless conditions using acidic alumina as a heterogeneous catalyst to selectively obtain the corresponding mono-adducts in high yields. Ethyl acrylate was the main acceptor used, although others such as acrylonitrile, methyl acrylate and acrylamide were also utilized successfully. Bi-functional amines also gave the mono-adducts in good to excellent yields. Such compounds can serve as intermediates for the synthesis of anti-cancer and antibiotic drugs.

ZrOCl2·8H2O on montmorillonite K10 accelerated conjugate addition of amines to α,β-unsaturated alkenes under solvent-free conditions

Hashemi, Mohammed M.,Eftekhari-Sis, Bagher,Abdollahifar, Amir,Khalili, Behzad

, p. 672 - 677 (2007/10/03)

At room temperature, ZrOCl2·8H2O on montmorillonite K10 efficiently catalyzes conjugate addition of amines to a variety of conjugated alkenes such as α,β-unsaturated carbonyl compounds, carboxylic esters, nitriles and amides under solvent-free conditions. The catalyst can be recycled for subsequent reactions without any appreciable loss of efficiency.

RuCl3 in poly(ethylene glycol): A highly efficient and recyclable catalyst for the conjugate addition of nitrogen and sulfur nucleophiles

Zhang, Huaxing,Zhang, Yuhong,Liu, Leifang,Xu, Hailiang,Wang, Yanguang

, p. 2129 - 2136 (2007/10/03)

The 1,4-conjugate addition of primary, secondary and aromatic amines, thiols, and carbamate to α,β-unsaturated compounds mediated by a catalytic amount (0.5 mol%) of RuCl3 in poly(ethylene glycol) (PEG) provides the desired β-substituted carbonyls in high yields. In particular, we found that primary aliphatic and aromatic amines produced the single adducts as the sole products in very high yields with RuCl3-PEG. RuCl 3-PEG was readily recycled via solvent precipitation with efficient recyclability as evidenced by high yields. Its properties of low sensitivity toward moisture and oxygen, high tolerance of different functional groups, and efficient recyclability make RuCl3-PEG suitable for both laboratory and industrial scale synthesis of β-substituted carbonyls. Georg Thieme Verlag Stuttgart.

LiClO4 accelerated Michael addition of amines to α,β-unsaturated olefins under solvent-free conditions

Azizi, Najmedin,Saidi, Mohammad R.

, p. 383 - 387 (2007/10/03)

Several primary and secondary amines were added to α,β- unsaturated esters, nitriles, amides, and ketones to give the corresponding saturated amines mediated by solid lithium perchlorate under solvent-free and environmentally friendly conditions at room temperature.

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