Cas no 1185-39-3 (2,2-Dimethylpentanoic acid)
2,2-Dimethylpentanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,2-Dimethylpentanoic acid
- 2,2-Dimethylvaleric Acid, Pract.
- Dimethylvalericacid
- 2,2-Dimethylvaleric Acid
- 2,2-DIMETHYLVALERIC ACID, PRACT. ---CLEAR LIQUID---
- Neoheptanoic acid
- 8-NITRO-1,3,5-NAPHTHALENETRISULFONICACID
- 33113-10-9
- DTXSID70152141
- alpha,alpha-dimethyl valeric acid
- LS-13333
- Pentanoic acid,2-dimethyl-
- A893100
- 95233IS466
- UNII-95233IS466
- LMFA01020085
- 1185-39-3
- D2320
- MFCD00021686
- 2,2-Dimethylpentanoic Acid, Pract.
- EN300-265881
- Valeric acid, 2,2-dimethyl-
- NSC 61983
- CHEBI:180000
- 2,2-Dimethylvaleric acid, >=97.0%
- NSC61983
- F8883-9292
- AKOS009156424
- NS00023818
- Valeric acid,2-dimethyl-
- 2,2-dimethyl valeric acid
- NSC-61983
- .alpha.,.alpha.-Dimethylvaleric acid
- 2,2-dimethyl pentanoic acid
- CHEMBL4871957
- SY004294
- 2,2-dimethyl-pentanoic acid
- D90044
- BRN 1747703
- 2,2-Dimethylvaleric Acid, Pract.; 2,2-Dimethylpentanoic acid; Dimethylvalericacid; 95%
- InChI=1/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9
- Q27271724
- 2,2-dimethyl-n-valeric acid
- SCHEMBL276239
- Pentanoic acid, 2,2-dimethyl-
- J-003843
- EINECS 214-682-4
- 2,2,-dimethyl-pentanoic acid
- CS-0205424
- FT-0609279
- alpha,alpha-Dimethylvaleric acid
- 2,2-Dimethylpentanoicacid
-
- MDL： MFCD00021686
- Inchi： 1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)
- InChI Key： ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
- SMILES： OC(C(C)(C)CCC)=O
- BRN： 1747703
Computed Properties
- Exact Mass: 130.09900
- Monoisotopic Mass: 130.09938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 106
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.1
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: liquid
- Density: 0.918?g/mL?at 20?°C(lit.)
- Melting Point: -55.77°C (estimate)
- Boiling Point: 110°C/20mmHg(lit.)
- Flash Point: 92 oC
- Refractive Index: n20/D 1.422
- PSA: 37.30000
- LogP: 1.89730
- Solubility: Insoluble in water
2,2-Dimethylpentanoic acid Security Information
-
Symbol:
- Prompt：dangerous
- Signal Word：Danger
- Hazard Statement： H290-H314
- Warning Statement： P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
- Hazardous Material transportation number：UN 3265 8/PG 3
- WGK Germany：3
- Hazard Category Code： 34
- Safety Instruction： S26-S36/37/39-S45
- RTECS：YV6487500
-
Hazardous Material Identification：
- HazardClass：8
- PackingGroup：III
- Safety Term：8
- Packing Group：II
- Risk Phrases：R34
2,2-Dimethylpentanoic acid Customs Data
- HS CODE：2915900090
- Customs Data：
China Customs Code:
2915900090Overview:
2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%
2,2-Dimethylpentanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 215701-1g |
2,2-Dimethylpentanoic acid |
1185-39-3 | 95% | 1g |
￡18.00 | 2022-02-28 | |
| Fluorochem | 215701-5ml |
2,2-Dimethylpentanoic acid |
1185-39-3 | 95% | 5ml |
￡79.00 | 2022-02-28 | |
| Fluorochem | 215701-25ml |
2,2-Dimethylpentanoic acid |
1185-39-3 | 95% | 25ml |
￡284.00 | 2022-02-28 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D154848-1ml |
2,2-Dimethylpentanoic acid |
1185-39-3 | 98% | 1ml |
￥250.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D154848-25ML |
2,2-Dimethylpentanoic acid |
1185-39-3 | 98% | 25ml |
￥3156.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D154848-5ML |
2,2-Dimethylpentanoic acid |
1185-39-3 | 98% | 5ml |
￥780.90 | 2023-09-03 | |
| TRC | D447715-50mg |
2,2-Dimethylpentanoic Acid |
1185-39-3 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D447715-100mg |
2,2-Dimethylpentanoic Acid |
1185-39-3 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D447715-500mg |
2,2-Dimethylpentanoic Acid |
1185-39-3 | 500mg |
$ 95.00 | 2022-06-05 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA02098-5ml |
2,2-Dimethylpentanoic acid |
1185-39-3 | ≥97.0% | 5ml |
￥1618.0 | 2024-07-19 |
2,2-Dimethylpentanoic acid Suppliers
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2,2-Dimethylpentanoic acid Related Literature
-
Elena Dreassi,Giuseppe Ceramelli,Piero Corti,Silvano Lonardi,Piero Luigi Perruccio Analyst 1995 120 1005
-
M. Blanco,J. Coello,H. Iturriaga,S. Maspoch,D. Serrano Analyst 1998 123 2307
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Branched fatty acids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Branched fatty acids
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
Additional information on 2,2-Dimethylpentanoic acid
Comprehensive Overview of 2,2-Dimethylpentanoic Acid (CAS No. 1185-39-3): Properties, Applications, and Industry Insights
2,2-Dimethylpentanoic acid (CAS No. 1185-39-3) is a branched-chain carboxylic acid with significant relevance in organic synthesis and industrial applications. This compound, also known as 2,2-dimethyl valeric acid, features a unique molecular structure characterized by two methyl groups at the second carbon position, which influences its physical and chemical properties. Its IUPAC name and systematic nomenclature make it a subject of interest for researchers exploring branched fatty acids and their derivatives.
The growing demand for specialty chemicals in pharmaceuticals, agrochemicals, and fragrances has spotlighted compounds like 2,2-dimethylpentanoic acid. Recent trends in green chemistry and sustainable synthesis have further driven inquiries into its production methods, such as catalytic hydrogenation or enzymatic processes. Users frequently search for "2,2-dimethylpentanoic acid uses" or "CAS 1185-39-3 suppliers," reflecting its commercial importance.
From a structural perspective, the steric hindrance caused by the dimethyl groups impacts the compound’s reactivity, making it a valuable intermediate in synthesizing esters, amides, and other derivatives. Its boiling point (approximately 220°C) and solubility in organic solvents like ethanol or ether are critical for laboratory and industrial workflows. Researchers often investigate "2,2-dimethylpentanoic acid solubility" or "thermal stability of branched carboxylic acids" to optimize reaction conditions.
In the pharmaceutical sector, 2,2-dimethylpentanoic acid serves as a building block for active pharmaceutical ingredients (APIs). Its role in modulating drug bioavailability and metabolic pathways aligns with current interests in prodrug design and drug delivery systems. Meanwhile, the fragrance industry leverages its mild, fatty odor profile in creating synthetic aroma compounds, addressing consumer demand for long-lasting perfumes.
Environmental and regulatory considerations are also pivotal. With increasing scrutiny on chemical safety data sheets (SDS), manufacturers prioritize compliance with REACH and FDA guidelines. Searches for "CAS 1185-39-3 safety" or "2,2-dimethylpentanoic acid environmental impact" underscore the need for transparent data on biodegradability and toxicity.
Technological advancements, such as AI-driven molecular modeling, have accelerated research into structure-activity relationships (SAR) for derivatives of this compound. Startups and academic labs explore "machine learning in carboxylic acid synthesis" to predict optimal reaction pathways, reducing trial-and-error in R&D.
In summary, 2,2-Dimethylpentanoic acid (CAS No. 1185-39-3) exemplifies the intersection of traditional organic chemistry and modern industrial needs. Its versatility, coupled with evolving applications in biotechnology and material science, ensures its continued relevance. For those seeking "high-purity 2,2-dimethylpentanoic acid" or "technical specifications for CAS 1185-39-3," understanding its multifaceted roles is essential.
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