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[4S,6S,(+)]-4,6-Dimethyloctanoic acid methyl ester is a chiral organic compound with the molecular formula C11H22O2. It is a methyl ester derivative of 4,6-dimethyloctanoic acid, featuring a carboxylic acid group that has been esterified with methanol. The compound has a specific stereochemistry, with the 4S and 6S configurations indicating that the methyl groups are positioned on the same side of the molecule when viewed from the carboxylic acid end. This chirality is important as it can influence the compound's physical and biological properties. It is used in the synthesis of various pharmaceuticals and fragrances due to its unique scent and reactivity.

2553-96-0

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Basic information
1. Product Name: [4S,6S,(+)]-4,6-Dimethyloctanoic acid methyl ester
2. Synonyms: [4S,6S,(+)]-4,6-Dimethyloctanoic acid methyl ester
3. CAS NO:2553-96-0
4. Molecular Formula: C11H22 O2
5. Molecular Weight: 186.29
6. EINECS: N/A
7. Product Categories: N/A
8. Mol File: 2553-96-0.mol
Chemical Properties
1. Melting Point: N/A
2. Boiling Point: 268.1°C at 760 mmHg
3. Flash Point: 123.2°C
4. Appearance: /
5. Density: 0.911g/cm³
6. Vapor Pressure: 0.00224mmHg at 25°C
7. Refractive Index: 1.44
8. Storage Temp.: N/A
9. Solubility: N/A
10. CAS DataBase Reference: [4S,6S,(+)]-4,6-Dimethyloctanoic acid methyl ester(CAS DataBase Reference)
11. NIST Chemistry Reference: [4S,6S,(+)]-4,6-Dimethyloctanoic acid methyl ester(2553-96-0)
12. EPA Substance Registry System: [4S,6S,(+)]-4,6-Dimethyloctanoic acid methyl ester(2553-96-0)
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: 2553-96-0(Hazardous Substances Data)

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Check Digit Verification of cas no

The CAS Registry Mumber 2553-96-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,5,5 and 3 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 2553-96:
(6*2)+(5*5)+(4*5)+(3*3)+(2*9)+(1*6)=90
90 % 10 = 0
So 2553-96-0 is a valid CAS Registry Number.

InChI:InChI=1/C10H20O2/c1-4-8(2)7-9(3)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)

2553-96-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name	4,6-dimethyloctanoic acid

1.2 Other means of identification

Product number	-
Other names	-

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:2553-96-0 SDS

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