ChemicalBook--->CAS DataBase List--->2035-99-6

2035-99-6

2035-99-6 Structure

2035-99-6 Structure
IdentificationMore
[Name]

FEMA 2080
[CAS]

2035-99-6
[Synonyms]

3-METHYLBUTYL OCTANOATE
FEMA 2080
ISOAMYL CAPRYLATE
ISOAMYL N-OCTANOATE
ISOAMYL OCTANOATE
ISOPENTYL N-OCTANOATE
ISOPENTYL OCTANOATE
N-CAPRYLIC ACID ISOAMYL ESTER
N-OCTANOIC ACID ISOAMYL ESTER
Octanoic acid, isoamyl ester
Octanoic acid, isopentyl ester
Octanoicacid,3-methylbutylester
octanoicacid,isopentylester
ISOAMYL OCTANOATE 98+% NATURAL
ISOAMYL OCTANOATE 98+% FCC
Isopentyl caprylate
ISOAMYLCAPRYLAT
Isopentyloctanoat
ISOAMYL CAPRYLATE FCC
ISOAMYL CAPRYLATE, NATURAL
[EINECS(EC#)]

218-004-8
[Molecular Formula]

C13H26O2
[MDL Number]

MFCD00048917
[Molecular Weight]

214.34
[MOL File]

2035-99-6.mol
Chemical PropertiesBack Directory
[Melting point ]

-34.8°C (estimate)
[Boiling point ]

267-268 °C
[density ]

0.861 g/mL at 25 °C(lit.)
[FEMA ]

2080
[refractive index ]

n20/D 1.426(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[Water Solubility ]

Soluble in water
[form ]

neat
[color ]

Colorless to Light yellow
[Odor]

at 100.00 %. sweet oily fruity green soapy pineapple coconut
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

47
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
SKIN CONDITIONING - EMOLLIENT
SKIN CONDITIONING
[InChI]

1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
[InChIKey]

XKWSWANXMRXDES-UHFFFAOYSA-N
[SMILES]

CCCCCCCC(=O)OCCC(C)C
[LogP]

5.31
[CAS DataBase Reference]

2035-99-6(CAS DataBase Reference)
[EPA Substance Registry System]

Octanoic acid, 3-methylbutyl ester (2035-99-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

RH0770000
[TSCA ]

TSCA listed
[HS Code ]

29156000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

p-Toluenesulfonic acid-->3-Methyl-1-butanol-->Octanoic acid
Hazard InformationBack Directory
[Description]

Isoamyl octanoate has a fruity odor. May be prepared by esterification of octanoic acid with commercial isoamyl alcohols, which vary in isomer distribution according to source.
[Chemical Properties]

Colorless liquid
[Chemical Properties]

Isoamyl octanoate has a fruity odor
[Occurrence]

Reported found in wine, banana, strawberry, apple, grape, cheeses, beer, cognac, rum, whiskies, cider, sherry, grape wines, plum brandy, mango, pear and apple brandy, strawberry wine, sea buckthorn (Hippophae rhamnoides L.) and mastic gum leaf and fruit oil.
[Uses]

GB 2760-1996 specifies FEMA 2080 as a permitted food flavoring. It is used to formulate various fruit flavorings and flavorings for rum, brandy, and other spirits.
[Definition]

ChEBI: A fatty acid ester obtained by the formal condensation of isoamylol with caprylic acid.
[Preparation]

By esterification of octanoic acid with commercial isoamyl alcohols, which vary in isomer distribution according to source
[Production Methods]

Produced by direct estenfication of the isoAmyl alcohol with Octanoic acid (n-Caprylic acid) under azeotropic conditions.
[Taste threshold values]

Taste characteristics at 20 ppm: sweet, fruity, waxy, pineapple, fruity and green with coconut and cognac nuances.
Questions And AnswerBack Directory
[Aroma]

Peculiar oily-fruity, slightly animal odor reminiscent of Elderflower, with orris undertones. Used in flavor compositions for imitation Chocolate, Fruit (mostly the heavier types), Liqueur and Brandy flavoring, etc. Concentrations are usually traces (a few ppm) up to 7 ppm in the finished consumer product.
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 2080(2035-99-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2035-99-6(sigmaaldrich)
[TCI AMERICA]

Isoamyl n-Octanoate,>97.0%(GC)(2035-99-6)
2035-99-6 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: jiliang chemicals  
Telephone: 21-62165282
Website: http://www.jiliangchem.com
Company Name: Syntechem Co.,Ltd  
Telephone:
Website: www.syntechem.com
Company Name: Sichuan Kulinan Technology Co., Ltd  
Telephone: 400-1166-196 18981987031
Website: http://www.hx-r.com/
Company Name: Maya High Purity Chemicals  
Telephone: +86 (573) 82222445 (0)18006601000 452520369
Website: www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Zhengzhou HongSheng Pharmaceutical Co., Ltd.  
Telephone: 0371-0371-13526885213 15637198702
Website: http://www.hsyykj.cn
Company Name: Sigma-Aldrich  
Telephone: 021-61415566 800-8193336
Website: https://www.sigmaaldrich.cn
Company Name: Shanghai YuanYe Biotechnology Co., Ltd.  
Telephone: 15026964105
Website: www.shyuanye.com
Company Name: Shandong Xiya Chemical Co., Ltd.  
Telephone: 4009903999 13395398332
Website: http://www.xiyashiji.com
Company Name: Guangzhou Jhd Chemical Reagent Co., Ltd.  
Telephone: 020-84383047
Website: www.jhd.com.cn
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 021-021-52271985 17721149837
Website: www.9dingchem.com
Company Name: Shanghai Zhen Li Biological Technology Co., Ltd  
Telephone: 021-16621358918; 18516310516;16621358918;13045646768
Website: https://www.chemicalbook.com/ShowSupplierProductsList30395/0_EN.htm
Company Name: Aikon International Limited  
Telephone: 025-58859352 19370895928
Website: www.aikonchem.com
Tags:2035-99-6 Related Product Information
82409-00-5 13893-45-3 111-11-5 1117-55-1 638-25-5 73482-96-9 1984-06-1 63321-70-0 106-32-1 589-75-3 1068-07-1 16561-29-8 6309-51-9 58-20-8 2035-99-6 313-06-4