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M27409

Sigma-Aldrich

3-Methyladipic acid

99%

Synonym(s):

3-Methylhexanedioic acid

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About This Item

Linear Formula:
HO2CCH2CH2CH(CH3)CH2CO2H
CAS Number:
3058-01-3
Molecular Weight:
160.17
EC Number:
221-293-3
MDL number:
MFCD00002804
UNSPSC Code:
12352100
PubChem Substance ID:
24896760
NACRES:
NA.22

Assay

99%

bp

230 °C/30 mmHg (lit.)

mp

100-102 °C (lit.)

SMILES string

CC(CCC(O)=O)CC(O)=O

InChI

1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)

InChI key

SYEOWUNSTUDKGM-UHFFFAOYSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Joaquín Barberá et al.
Journal of the American Chemical Society, 127(1), 458-464 (2005-01-06)
The work described here concerns a challenge of general interest in supramolecular chemistry: the achievement of chiral helical organizations with controlled structures. This work provides a strategy to obtain supramolecular polymers in which a chiral helical conformation has been induced
3-Methyladipate excretion in animals fed a phytol supplement with reference to Refsum's disease.
S Krywawych et al.
Journal of inherited metabolic disease, 8 Suppl 2, 147-148 (1985-01-01)
L Williams-Seton et al.
Journal of pharmaceutical sciences, 89(3), 346-354 (2000-03-09)
The variation in physical properties of crystals grown in the presence of additives or impurities have previously been attributed to lattice disorder developed during crystallization. Adipic acid crystallized in the presence of a variety of stereochemically related impurities typifies such
Metabolism of phytanic acid in Refsum's disease.
J D Billimoria et al.
Lancet (London, England), 1(8265), 194-196 (1982-01-23)
3-Methyladipate excretion in Refsum's disease.
D P Brenton et al.
Lancet (London, England), 1(8272), 624-624 (1982-03-13)
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