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3-METHYLHEXANOIC ACID is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 3780-58-3 Structure
  • Basic information

    1. Product Name: 3-METHYLHEXANOIC ACID
    2. Synonyms: 3-METHYLHEXANOIC ACID;3-methylcaproicacid;3-methyl-hexanoicaci;3-methylhexylicacid;Hexanoic acid, 3-methyl-
    3. CAS NO:3780-58-3
    4. Molecular Formula: C7H14O2
    5. Molecular Weight: 130.18
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 3780-58-3.mol
  • Chemical Properties

    1. Melting Point: -55.77°C (estimate)
    2. Boiling Point: 210.1°C (estimate)
    3. Flash Point: 102.8°C
    4. Appearance: /
    5. Density: 0.9187
    6. Vapor Pressure: 0.0576mmHg at 25°C
    7. Refractive Index: 1.4222
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-METHYLHEXANOIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-METHYLHEXANOIC ACID(3780-58-3)
    12. EPA Substance Registry System: 3-METHYLHEXANOIC ACID(3780-58-3)
  • 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: 3780-58-3(Hazardous Substances Data)

3780-58-3 Usage

Uses

3-Methylhexylic Acid, is a building block used in various chemical synthesis.

Check Digit Verification of cas no

The CAS Registry Mumber 3780-58-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,7,8 and 0 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 3780-58:
(6*3)+(5*7)+(4*8)+(3*0)+(2*5)+(1*8)=103
103 % 10 = 3
So 3780-58-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

3780-58-3SDS

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 3-methylhexanoic acid

1.2 Other means of identification

Product number -
Other names (+-)-3-methyl-hexanoic acid

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:3780-58-3 SDS

3780-58-3Relevant articles and documents

CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS

-

Page/Page column 57; 62; 63; 65; 66, (2018/02/28)

The present invention relates to a method of reacting starting materials with an activating group, namely alkanes carrying a leaving group and/or olefins, with carbon dioxide under transition metal catalysis to give carboxyl group-containing products. It is a special feature of the method of the present invention that the carboxylation predominantly takes place at a preferred position of the molecule irrespective of the position of the activating group. The carboxylation position is either an aliphatic terminus of the molecule or it is a carbon atom adjacent to a carbon carrying an electron withdrawing group. The course of the reaction can be controlled by appropriately choosing the reaction conditions to yield the desired regioisomer.

Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof

-

, (2008/06/13)

An enantioselective method for producing optically active 3-alkyl carboxylic acids comprises transforming an optically active secondary alcohol into an optically active, activated compound by introducing a leaving group; reacting the activated compound with a malonic acid derivative to obtain an optically active, alkylated malonic acid compound, the reaction taking place exclusively in ether and/or carboxylic acid ester solvents and one or more aprotic polar solvents or alcohols as a cosolvent in a maximum proportion of 30 volume percent of total solvent, wherein the added cosolvent is not hexamethyl phosphoric acid triamide; the malonic acid compound is hydrolyzed if necessary to obtain the corresponding acid; and the corresponding acid is decarboxylated.

Camphorsulfonamide-Shielded, Asymmetric 1,4-Additions and Enolate Alkylations; Synthesis of a Southern Corn Rootworm Pheromone

Oppolzer, Wolfgang,Dudfield, Philip,Stevenson, Thomas,Godel, Thierry

, p. 212 - 215 (2007/10/02)

Using readily accessible 10-sulfonamido-isoborneols as regenerable, chiral auxiliaries, highly face-selective C-C-bond formations at Cα and Cβ of carboxylates could be conveniently achieved.Thus, conjugated additions of RCu to enoates (1->2) furnished, after saponification, β-substituted carboxylic acids 3 in 94-98 percent e.e.Similarly, propionates 12 yielded after deprotonation, enolate alkylation, and reductive ester cleveage the (R)-alcohols 15 in 78-98 percent e.e.The acid (+)-3e was converted to the pheromone (-)-11.

Research in dipropylacetic series. XII. Aliphatic ramified acids and alcohols with anticonvulsant activity

Taillandier,Benoit Guyod,Boucherle,et al.

, p. 453 - 462 (2007/10/05)

Previous results obtained about 2 propyl pentanoic acid (dipropylacetic or DPA) have been extended to other dialkylalkanoic acids having less than 14 carbon atoms and to some of their precursors (alcohols) or derivatives (amides). The effect of lengthening the chain bonding between the carbon bearing the two alkyl chains and the functional carbon on about 50 molecules is discussed. The anticonvulsant activity's length and strength often increases when lengthening that chain.

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