ChemicalBook--->CAS DataBase List--->53398-85-9

53398-85-9

53398-85-9 Structure

53398-85-9 Structure
IdentificationMore
[Name]

cis-3-Hexenyl 2-methylbutanoate
[CAS]

53398-85-9
[Synonyms]

2-METHYLBUTYRIC ACID CIS-3-HEXEN-1-YL ESTER
C3 HEXENYL 2 METHYL BUTYRATE
CIS-3-HEXEN-1-YL 2-METHYLBUTYRATE
CIS-3-HEXENYL 2-METHYLBUTANOATE
(+/-)-CIS-3-HEXENYL 2-METHYLBUTYRATE
CIS-3-HEXENYL-2-METHYL BUTYRATE
CIS-3-HEXENYL ALPHA METHYL BUTYRATE
FEMA 3497
HEXENYL-CIS-3-2-METHYLBUTYRATE
(Z)-3-HEXEN-1-OL 2-METHYLBUTANOATE
2-methyl-,3-hexenylester,(z)-butanoicaci
2-methyl-,3-hexenylester,(Z)-Butanoicacid
methylbutyricacidcishexenylester
(Z)-hex-3-enyl 2-methylbutyrate
HEXENYL CIS 3 2 METHYL BUTYRATE FCC
(Z)-3-hexenyl-2-methylbutanoate,(3Z)-3-hexenylester-2-methyl-butanoicacid,cis-3-hexenyl-2-methylbutyrate,(Z)-3-hexenyl-2-methylbutyrate
Butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester
CIS-3-HEXENYL-A-METHYL BUTYRATE
2-METHYLBUTYRIC ACID CIS-3-HEXEN-1-YL ESTER 90+%
β-D-GlcNAc-1-OCH2Ph, Benzyl N-acetyl-β-D-glucosaminide
[EINECS(EC#)]

233-224-4
[Molecular Formula]

C11H20O2
[MDL Number]

MFCD00036530
[Molecular Weight]

184.28
[MOL File]

53398-85-9.mol
Chemical PropertiesBack Directory
[Melting point ]

-58.7°C (estimate)
[Boiling point ]

228.24°C (estimate)
[density ]

0.878 g/mL at 25 °C(lit.)
[FEMA ]

3497
[refractive index ]

n20/D 1.432(lit.)
[Fp ]

182 °F
[storage temp. ]

−20°C
[solubility ]

Insoluble in water, soluble in alcohol and oils.
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in propylene glycol. fresh green apple sweet fruity pear
[Odor Type]

green
[Cosmetics Ingredients Functions]

PERFUMING
[InChIKey]

JKKGTSUICJWEKB-SREVYHEPSA-N
[LogP]

3.83
[CAS DataBase Reference]

53398-85-9(CAS DataBase Reference)
[EPA Substance Registry System]

53398-85-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H411
[Precautionary statements ]

P273
[Hazard Codes ]

N
[Risk Statements ]

R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

2
[TSCA ]

TSCA listed
[HS Code ]

29156000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Leaf alcohol
Hazard InformationBack Directory
[Chemical Properties]

cis-3-Hexenyl-2-methylbutyrate has a strong, warm, fruity odor like unripe apple and pineapple. It has a sweet, applelike taste
[Occurrence]

Reported found in apricot, scotch, spearmint, menthe oils, fresh plum and black tea
[Application]

In spite of the “unripe” odour in high concentration, Cis-3-Hexenyl 2-methylbutanoate produces very “ripe” fruity notes in dilutions and combinations with suitable blenders. It has good tenacity. It is found in perfume compositions and artificial essential oils as a “naturalized” freshener-modifier for the greener notes of lower esters of Hexcnol. It blends particularly well with Lavender, Lavandin, Clary Sage and Geranium. In flavours, it offers good opportunities for variation of the Apple and Pine-apple themes with conventional materials; in Plum, Peach and Apricot, where overly sweet fruity notes may be prevalent, it will supply sufficient freshness to compensate for those heavy Aromas of other chemicals. Esters of alpha- Mcthylbutyric acid have become quite popular since more and more such esters have been identified in natural products. Approved for use in food flavours by the American F. R. 1965.
[Application]

Cis-3-Hexenyl 2-methyl butanoate is produced from cis-3-Hcxenol by esterification with alpha-Methylbutync acid under azeotropic conditions.
[Definition]

ChEBI: Cis-3-Hexenyl 2-methylbutanoate is a fatty acid ester.
[Taste threshold values]

Taste characteristics at 10 ppm: green, fruity, sweet, juicy and pear-like with vegetative nuances
Spectrum DetailBack Directory
[Spectrum Detail]

cis-3-Hexenyl 2-methylbutanoate(53398-85-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

53398-85-9(sigmaaldrich)
[TCI AMERICA]

2-Methylbutyric Acid cis-3-Hexen-1-yl Ester,>90.0%(GC)(53398-85-9)
53398-85-9 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: 3B Pharmachem (Wuhan) International Co.,Ltd.  
Telephone: 18930552037
Website: www.chemicalbook.com/showsupplierproductslist13285/0_en.htm
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: Adamas Reagent, Ltd.  
Telephone: 400-6009262 15618770481
Website: www.tansoole.com
Company Name: jiliang chemicals  
Telephone: 21-62165282
Website: http://www.jiliangchem.com
Company Name: Beijing Isomersyn Technology CO;LTD  
Telephone: 010-82954736 13391601435
Website: www.chemicalbook.com/supplier/10680452/1.htm
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.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: Tianjin heowns Biochemical Technology Co., Ltd.  
Telephone: 400 638 7771
Website: www.heowns.com
Company Name: Maya High Purity Chemicals  
Telephone: +86 (573) 82222445 (0)18006601000 452520369
Website: www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm
Company Name: Chengdu Ai Keda Chemical Technology Co., Ltd.  
Telephone: 4008-755-333 18080918076
Website: http://www.aikeshiji.com
Company Name: Shanghai civi chemical technology co.,Ltd  
Telephone: 86-21-34053660
Website: www.labgogo.com
Company Name: Shanghai T&W Pharmaceutical Co., Ltd.  
Telephone: +86 21 61551611
Website: www.trustwe.com
Company Name: Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.  
Telephone: 025-66113011 13913916777
Website: www.aikonchem.com/
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/
Tags:53398-85-9 Related Product Information
305-03-3 10097-02-6 60-01-5 56-12-2 922-67-8 32360-05-7 133-32-4 107-92-6 13609-67-1 116-53-0 2589-57-3 14080-23-0 75330-75-5 79902-63-9 928-96-1 623-42-7 106-29-6 35154-45-1