Cas no 2349-07-7 (Hexyl isobutyrate)
Hexyl isobutyrate Chemical and Physical Properties
Names and Identifiers
-
- Hexyl isobutyrate
- HEXYL-iso-BUTYRATE
- exyl isobutyrate
- hexyl 2-methylpropanoate
- Isobutyricacid, hexyl ester (7CI,8CI)
- 1-Hexyl isobutyrate
- Hexyl 2-methylpropionate
- Hexyl isobutanoate
- NSC 46108
- n-Hexyl iso-butyrate
- n-Hexyl isobutyrate
- Isobutyric acid, hexyl ester
- Propanoic acid, 2-methyl-, hexyl ester
- n-Hexyl isobutanoate
- Hexyl-2-methylpropionate
- Hexyl isobutyrate (natural)
- FEMA No. 3172
- 5FC79GHU69
- hexyl iso-butyrate
- caproyl isobutyrate
- 1-Hexanol isobutyrate
- Benzyl-Penicillinic acid
- (phenylmethyl)-Penicilli
-
- MDL： MFCD00027297
- Inchi： 1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
- InChI Key： CYHBDKTZDLSRMY-UHFFFAOYSA-N
- SMILES： CCCCCCOC(C(C)C)=O
- BRN： 2075011
Computed Properties
- Exact Mass: 172.14600
- Monoisotopic Mass: 172.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 119
- 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
- XLogP3: 3.5
- Topological Polar Surface Area: 26.3
Experimental Properties
- Color/Form: Colorless liquid with fresh smell like apple pineapple
- Density: 0.86
- Melting Point: -78°C (estimate)
- Boiling Point: 202.6°C (estimate)
- Flash Point: 164 oF
- Refractive Index: 1.413
- PSA: 26.30000
- LogP: 2.76590
- FEMA: 3172
Hexyl isobutyrate 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%
Hexyl isobutyrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H168865-100g |
Hexyl isobutyrate |
2349-07-7 | 98% | 100g |
￥55.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H168865-1kg |
Hexyl isobutyrate |
2349-07-7 | 98% | 1kg |
￥292.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H168865-4kg |
Hexyl isobutyrate |
2349-07-7 | 98% | 4kg |
￥934.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H168865-500g |
Hexyl isobutyrate |
2349-07-7 | 98% | 500g |
￥183.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H168865-9kg |
Hexyl isobutyrate |
2349-07-7 | 98% | 9kg |
￥1681.90 | 2023-09-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | H859274-100g |
Hexyl Isobutyrate |
2349-07-7 | ≥98% | 100g |
￥53.10 | 2022-01-11 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W317209-SAMPLE-K |
Hexyl isobutyrate |
2349-07-7 | ≥98%, FG | 587.6 | 2021-05-17 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W317209-1KG-K |
Hexyl isobutyrate |
2349-07-7 | ≥98%, FG | 1KG |
985.18 | 2021-05-17 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W317209-9KG-K |
Hexyl isobutyrate |
2349-07-7 | ≥98%, FG | 9KG |
5618.29 | 2021-05-17 | |
| abcr | AB508747-100 g |
Hexyl isobutyrate; . |
2349-07-7 | 100g |
€78.90 | 2023-03-30 |
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Hexyl isobutyrate Related Literature
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A. Meneses-Franco,A. E. Fierro-Armijo,P. Romero-Hasler,L. G. Salamanca-Riba,L. J. Martínez-Miranda,E. A. Soto-Bustamante J. Mater. Chem. C 2015 3 8566
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Changgook Lee,Younghoon Lee,Jae-Gon Lee,Alan J. Buglass Anal. Methods 2015 7 6504
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Changgook Lee,Younghoon Lee,Jae-Gon Lee,Alan J. Buglass Anal. Methods 2015 7 3521
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Stanislau Bogusz Junior,Paulo Henrique Mar?o,Patrícia Valderrama,Flaviana Cardoso Damasceno,Maria Silvana Aranda,Cláudia Alcaraz Zini,Elina Bastos Caram?o,Arlete Marchi Tavares Melo,José Teixiera Filho,Helena Teixeira Godoy Anal. Methods 2015 7 521
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Qimin Jiang,Wenyan Huang,Hongjun Yang,Xiaoqiang Xue,Bibiao Jiang,Dongliang Zhang,Jianbo Fang,Jianhai Chen,Yang Yang,Guangqun Zhai,Lizhi Kong,Jinlong Guo Polym. Chem. 2014 5 1863
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid esters
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Carboxylic acid esters
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
Additional information on Hexyl isobutyrate
Comprehensive Guide to Hexyl isobutyrate (CAS No. 2349-07-7): Properties, Applications, and Industry Trends
Hexyl isobutyrate (CAS No. 2349-07-7) is a versatile ester compound widely recognized for its fruity, apple-like aroma and extensive use in flavor and fragrance formulations. As consumer demand for natural and sustainable ingredients grows, this ester has gained attention for its role in clean-label food additives and eco-friendly cosmetic formulations. Its molecular structure combines hexanol and isobutyric acid, resulting in a low-volatility ester with excellent stability in diverse applications.
The global market for ester-based flavor compounds like Hexyl isobutyrate is projected to grow at 5.8% CAGR through 2030, driven by rising demand in the food & beverage industry and personal care products. Recent studies highlight its potential as a green solvent alternative in industrial applications, aligning with the circular economy trends. Analytical techniques such as GC-MS analysis confirm its purity profile, while advanced encapsulation technologies enhance its performance in functional products.
In flavor chemistry, Hexyl isobutyrate serves as a key component in fruit flavor reproductions, particularly for apple, pear, and berry profiles. Its odor threshold value of 0.02 ppm makes it exceptionally potent in fragrance applications. The compound's partition coefficient (log P 3.1) indicates favorable solubility characteristics for both oil-based formulations and water-miscible systems when properly emulsified.
Manufacturers are increasingly adopting enzymatic esterification methods for Hexyl isobutyrate production, responding to demands for biocatalytic processes in specialty chemicals. This aligns with the green chemistry movement and reduces energy consumption by 40% compared to traditional acid-catalyzed methods. Recent patents demonstrate novel applications in controlled-release systems and antimicrobial packaging materials.
From a regulatory perspective, Hexyl isobutyrate holds GRAS status (Generally Recognized As Safe) for food use and complies with IFRA standards for fragrance applications. Its REACH registration in Europe and FDA approval in the United States ensure broad commercial applicability. Analytical certificates typically specify minimum assay purity of 98% with controlled levels of residual solvents and heavy metal content.
Emerging research explores Hexyl isobutyrate's role in pheromone formulations for agricultural applications and as a bio-based plasticizer in polymer modifications. These developments position the compound as a multifunctional ingredient in sustainable material science. Storage recommendations emphasize protection from oxidative degradation through nitrogen blanketing and UV-protective packaging solutions.
The supply chain dynamics for 2349-07-7 reflect growing regional production in Asia-Pacific markets, with quality benchmarks increasingly adopting pharmaceutical-grade standards even for industrial applications. Technical specifications now commonly include chirality analysis to meet stringent flavor authenticity requirements in premium product segments.
In perfumery applications, Hexyl isobutyrate contributes to top-note formulations with excellent vapor pressure characteristics (0.12 mmHg at 25°C). Its compatibility with fixative agents and natural essential oils makes it valuable in niche fragrance creation. Recent consumer preference studies indicate positive reception in vegan personal care products and aromatherapy blends.
Quality control protocols for CAS 2349-07-7 now incorporate advanced spectroscopic fingerprinting techniques to ensure batch-to-batch consistency. The compound's thermal stability profile (decomposition temperature >200°C) supports applications in high-temperature processing of food and industrial products. Industry best practices recommend stability-indicating methods for long-term storage evaluation.
Future developments may explore Hexyl isobutyrate's potential in bioactive delivery systems and smart packaging technologies. The compound's structure-activity relationships continue to be investigated for novel applications in functional materials. As regulatory landscapes evolve, documentation of life cycle assessment data and carbon footprint metrics will become increasingly important for market access.
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