2,2-Dimethylvaleric acid - CAS 1185-39-3
Catalog: |
BB004140 |
Product Name: |
2,2-Dimethylvaleric acid |
CAS: |
1185-39-3 |
Synonyms: |
Pentanoic acid, 2,2-dimethyl-; Valeric acid, 2,2-dimethyl-; NSC 61983; α,α-Dimethylvaleric acid |
IUPAC Name: | 2,2-dimethylpentanoic acid |
Molecular Weight: | 130.18 |
Molecular Formula: | C7H14O2 |
Canonical SMILES: | CCCC(C)(C)C(=O)O |
InChI: | InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9) |
InChI Key: | ZRYCZAWRXHAAPZ-UHFFFAOYSA-N |
Boiling Point: | 101-102°C |
Melting Point: | 71°C |
Purity: | 95% |
Density: | 0.8833 g/cm3 |
Appearance: | Colorless to Light Yellow to Light Orange Clear Liquid |
Storage: | Store at 2-8°C |
MDL: | MFCD00021686 |
LogP: | 1.89730 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021122978-A1 | Non aqueous crosslinkable composition | 20191219 |
EP-3839025-A1 | Cleaning product | 20191217 |
EP-3839028-A1 | Cleaning product | 20191217 |
US-2021179971-A1 | Cleaning product | 20191217 |
US-2021179980-A1 | Cleaning product | 20191217 |
PMID | Publication Date | Title | Journal |
18155649 | 20080201 | Liquid chromatography-mass spectrometric assay for quantitation of the short-chain fatty acid, 2,2-dimethylbutyrate (NSC 741804), in rat plasma | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
-
[99-14-9]
Tricarballylic acid
-
[1415761-37-3]
5,8-Dibromo-1,3-diaza-2,6,7-trithia-2H-trindene
-
[72914-19-3]
4,4'-Di-tert-butyl-2,2'-dipyridyl
-
[70684-84-3]
1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylic Acid
-
[714971-28-5]
(S)-N-Boc-3-(Hydroxymethyl)morpholine
-
[1032314-85-4]
Benzamide, N-[4-methyl-3-[[4-(6-methyl-3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-
INDUSTRY LEADERS TRUST OUR PRODUCTS