Cas no 54947-74-9 (4-Methyloctanoic acid)
4-Methyloctanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-methyloctanoic acid
- 4-Methyl-n-octanoic Acid
- (±)-4-Methyloctanoic acid
- 4-METHYLCAPRYLIC ACID
- 4-MethyloCLanoic Acid
- 4-methyl-octanoicaci
- 4-Methyl-octansaeure
- FEMA 3575
- FEMA NUMBER 3575
- HIRCINOIC ACID
- METHYLOCTANSAEURE,4
- Octanoic acid,4-methyl
- rac-4-methyloctanoic acid
- 4-Methylcaprylicacid
- Octanoic acid, 4-methyl-
- 4-methyl-octanoic acid
- (+/-)-4-Methyloctanoic acid
- 4-methyl octanoic acid
- LEGGANXCVQPIAI-UHFFFAOYSA-N
- AK164469
- Octanoic acid, 4-methyl-, (R)-
- FEMA No. 3575
- Octanoic acid,4-methyl-
- KSC489O6T
- BCP19094
- SBB065822
- LMFA0
- 4-Methyloctanoic acid
-
- MDL: MFCD00051938
- Inchi: 1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
- InChI Key: LEGGANXCVQPIAI-UHFFFAOYSA-N
- SMILES: CCCCC(CCC(=O)O)C
- BRN: 1755426
Computed Properties
- Exact Mass: 158.13100
- Monoisotopic Mass: 158.13068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: liquid
- Density: 0.91
- Melting Point: -29.5°C (estimate)
- Boiling Point: 143°C/20mmHg(lit.)
- Flash Point: >110 oC
- Refractive Index: 1.433
- PSA: 37.30000
- LogP: 2.67750
- FEMA: 3575
- Solubility: Not determined
4-Methyloctanoic acid Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Danger
- Hazard Statement: H314
- Warning Statement: P280,P305+P351+P338,P310
- Hazardous Material transportation number:UN 3265 8/PG 3
- WGK Germany:1
- Hazard Category Code: R34
- Safety Instruction: S26-S36/37/39-S45
-
Hazardous Material Identification:
- HazardClass:8
- PackingGroup:III
- TSCA:Yes
- Storage Condition:Store at room temperature
- Packing Group:III
- Hazard Level:8
- Safety Term:8
- Packing Group:III
- Risk Phrases:R34
4-Methyloctanoic 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%
4-Methyloctanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 002774-1g |
4-Methyloctanoic acid |
54947-74-9 | 98% | 1g |
£10.00 | 2022-02-28 | |
| Fluorochem | 002774-5g |
4-Methyloctanoic acid |
54947-74-9 | 98% | 5g |
£21.00 | 2022-02-28 | |
| Fluorochem | 002774-25g |
4-Methyloctanoic acid |
54947-74-9 | 98% | 25g |
£75.00 | 2022-02-28 | |
| Fluorochem | 002774-100g |
4-Methyloctanoic acid |
54947-74-9 | 98% | 100g |
£167.00 | 2022-02-28 | |
| S e l l e c k ZHONG GUO | S6029-25ul |
4-Methyl-n-octanoic Acid |
54947-74-9 | 99.5% | 25ul |
¥795.1 | 2023-09-16 | |
| TRC | H356750-1g |
Hircinoic Acid |
54947-74-9 | 1g |
$ 52.00 | 2023-09-07 | ||
| TRC | H356750-5g |
Hircinoic Acid |
54947-74-9 | 5g |
$64.00 | 2023-05-18 | ||
| TRC | H356750-10g |
Hircinoic Acid |
54947-74-9 | 10g |
$104.00 | 2023-05-18 | ||
| TRC | H356750-25g |
Hircinoic Acid |
54947-74-9 | 25g |
$167.00 | 2023-05-18 | ||
| TRC | H356750-50g |
Hircinoic Acid |
54947-74-9 | 50g |
$316.00 | 2023-05-18 |
4-Methyloctanoic acid Suppliers
4-Methyloctanoic acid Related Literature
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Agnieszka Dro?d?,Anna Chrobok Chem. Commun. 2016 52 1230
-
2. 313. Anodic syntheses. Part VIII. New syntheses of 3 : 13 : 19-trimethyltricosanoic acidR. P. Linstead,B. R. Shephard,B. C. L. Weedon,J. C. Lunt J. Chem. Soc. 1953 1538
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Helena Lundberg,Fredrik Tinnis,Nicklas Selander,Hans Adolfsson Chem. Soc. Rev. 2014 43 2714
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4. 436. The oxidation of carboxylic acids containing a tertiary carbon atomJ. Kenyon,M. C. R. Symons J. Chem. Soc. 1953 2129
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Marion B. Ansorge-Schumacher,Oliver Thum Chem. Soc. Rev. 2013 42 6475
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Medium-chain fatty acids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
Additional information on 4-Methyloctanoic acid
Comprehensive Overview of 4-Methyloctanoic Acid (CAS No. 54947-74-9): Properties, Applications, and Industry Insights
4-Methyloctanoic acid (CAS 54947-74-9), a branched-chain fatty acid, has garnered significant attention in the chemical and flavor industries due to its unique structural properties and versatile applications. This medium-chain fatty acid is characterized by an eight-carbon backbone with a methyl group at the fourth position, contributing to its distinct physicochemical behavior. Researchers and manufacturers are increasingly exploring its potential in flavor enhancers, fragrance formulations, and specialty chemicals, aligning with the growing demand for natural and sustainable ingredients.
The molecular structure of 4-Methyloctanoic acid (often referred to as 4-MOA in industry shorthand) enables it to interact uniquely with biological systems and synthetic matrices. Its lipophilic nature and moderate volatility make it particularly valuable in food flavorings, where it contributes to the characteristic notes of dairy products and fermented foods. Recent studies highlight its role in plant-derived antimicrobial agents, coinciding with the global shift toward green chemistry solutions. The compound’s CAS registry number 54947-74-9 serves as a critical identifier for regulatory compliance and safety assessments across international markets.
In the context of sustainable sourcing, 4-Methyloctanoic acid has been identified in select essential oils and microbial metabolites, offering renewable production pathways. This aligns with the "bio-based chemicals" trend dominating search queries in the chemical sector. Analytical techniques such as GC-MS and HPLC are routinely employed to quantify its purity, a topic frequently searched by quality control professionals. The compound’s odor threshold and solubility profile are also key parameters for formulators, reflecting the intersection of technical data and practical applications.
From a commercial perspective, 54947-74-9 is classified as a high-value specialty chemical, with pricing influenced by synthesis complexity and purity grades (>98% being industry standard). Its use in pheromone research and animal behavior studies has recently surged, addressing ecological questions prevalent in academic searches. Regulatory frameworks like REACH and FDA GRAS status (for specific applications) further define its market viability, topics frequently queried by compliance officers.
Innovations in catalytic synthesis methods for 4-Methyloctanoic acid have reduced production costs while improving yield—a breakthrough often discussed in patent literature and chemical engineering forums. The compound’s stereochemical properties also make it a candidate for chiral auxiliary applications, resonating with pharmaceutical researchers. Notably, its low environmental persistence compared to longer-chain analogues positions it favorably in eco-conscious formulations, a priority for modern consumers.
Future prospects for CAS 54947-74-9 include potential roles in biodegradable polymers and next-generation biofuels, areas generating substantial search traffic among sustainability professionals. As analytical technologies advance, previously undetected biological activities of this compound may emerge, reinforcing the importance of foundational research. The intersection of flavor science, green chemistry, and material innovation ensures that 4-Methyloctanoic acid remains a compound of enduring scientific and industrial relevance.
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