Cas no 78-35-3 (Linalyl isobutyrate)
Linalyl isobutyrate is a monoterpene ester derived from linalool and isobutyric acid, commonly used in fragrance and flavor formulations. Its chemical structure (C14H24O2) imparts a sweet, fruity, and floral aroma with subtle herbal undertones, making it valuable in perfumery and food flavoring. The compound exhibits good stability under typical processing conditions, ensuring consistent performance in various applications. Its low volatility and moderate tenacity contribute to prolonged scent retention in cosmetic and household products. As a synthetic alternative, linalyl isobutyrate offers reproducibility and cost efficiency compared to natural extracts, while maintaining similar organoleptic properties. The ester is generally recognized as safe for use in compliant concentrations.
Linalyl isobutyrate structure
Product Name:Linalyl isobutyrate
CAS No:78-35-3
MF:C14O2
MW:200.148603439331
MDL:MFCD00048312
CID:34111
Update Time:2025-06-09
Linalyl isobutyrate Chemical and Physical Properties
Names and Identifiers
-
- Linalyl isobutyrate
- 3,7-Dimethylocta-1,6-dien-3-yl isobutyrate
- Isobutyric acid 1,5-dimethyl-1-vinyl-4-hexenyl ester
- 3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate
- isobutyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
-
- MDL： MFCD00048312
- Inchi： 1S/C14O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5
- InChI Key： YPHMLASKIDIHID-UHFFFAOYSA-N
- SMILES： [C][C](C(OC([C]=[C])([C][C]/[C]=C(\[C])/[C])[C])=O)[C] |^1:0,1,5,9,11,12,13,15,^4:6,7,8|
Computed Properties
- Exact Mass: 224.17800
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 273
- 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: 4.3
Experimental Properties
- Density: 1.0013 (rough estimate)
- Boiling Point: 305.75°C (rough estimate)
- Refractive Index: 1.4576 (estimate)
- PSA: 26.30000
- LogP: 3.87670
- FEMA: 2640 | LINALYL ISOBUTYRATE
Linalyl isobutyrate Security Information
- Safety Instruction： S26-S37/39
-
Hazardous Material Identification：
Linalyl isobutyrate Customs Data
- HS CODE：2915600000
- Customs Data：
China Customs Code:
2915600000Overview:
HS:2915600000 butyrate\Valeric acid, its salts and esters VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
Linalyl isobutyrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | L907414-250mg |
LINALYL ISOBUTYRATE |
78-35-3 | 95% | 250mg |
4,032.00 | 2021-05-17 | |
| A2B Chem LLC | AC37713-1g |
Linalyl Isobutyrate |
78-35-3 | 97% | 1g |
$77.00 | 2024-04-19 | |
| A2B Chem LLC | AC37713-5g |
Linalyl Isobutyrate |
78-35-3 | 97% | 5g |
$180.00 | 2024-04-19 | |
| 1PlusChem | 1P00541D-1g |
Linalyl Isobutyrate |
78-35-3 | 97% | 1g |
$78.00 | 2024-04-21 | |
| 1PlusChem | 1P00541D-5g |
Linalyl Isobutyrate |
78-35-3 | 97% | 5g |
$166.00 | 2024-04-21 | |
| Aaron | AR00549P-500mg |
Linalyl Isobutyrate |
78-35-3 | 95% | 500mg |
$485.00 | 2025-02-10 | |
| Aaron | AR00549P-1g |
Linalyl Isobutyrate |
78-35-3 | 95% | 1g |
$693.00 | 2025-02-10 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1619431-100mg |
3,7-Dimethylocta-1,6-dien-3-yl isobutyrate |
78-35-3 | 98% | 100mg |
￥1560.00 | 2024-07-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1619431-250mg |
3,7-Dimethylocta-1,6-dien-3-yl isobutyrate |
78-35-3 | 98% | 250mg |
￥2880.00 | 2024-07-28 | |
| A2B Chem LLC | AC37713-100mg |
Linalyl Isobutyrate |
78-35-3 | 95% | 100mg |
$184.00 | 2023-12-30 |
Linalyl isobutyrate Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
78-35-3 (Linalyl isobutyrate) Related Products
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- 115-95-7(Linalyl acetate)
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- 1118-27-0(Butanoic acid,3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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