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Merck
CN

W335916

2-Methylbutyl 2-methylbutyrate

natural, 98%

Synonym(s):

DL-2-Methylbutyric acid 2-methylbutyl ester

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About This Item

Linear Formula:
C2H5CH(CH3)CO2CH2CH(CH3)C2H5
CAS Number:
2445-78-5
Molecular Weight:
172.26
FEMA Number:
3359
Council of Europe no.:
10773
UNSPSC Code:
12164502
PubChem Substance ID:
24901665
EC Number:
219-497-2
Flavis number:
9.516
MDL number:
MFCD00059395

Key Documents

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SMILES string

CCC(C)COC(=O)C(C)CC

InChI key

PVYFCGRBIREQLL-UHFFFAOYSA-N

InChI

1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3

grade

Kosher, natural

assay

98%

refractive index

n20/D 1.411-1.417 (lit.)

bp

70-72 °C/11 mmHg (lit.)

density

0.855 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

apple; floral

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General description

2-Methylbutyl 2-methylbutyrate is reported to be the key volatile compound in the okra seed coat.{9] It is also found in Cape chamomile oil.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

152.6 °F

flash_point_c

67 °C

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBG9896V
MKBH6561V
MKBH2465V
MKBF4785V
MKBD9286

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Volatile components in okra seed coat.
Camciuc M, et al.
Phytochemistry, 48(2), 311-315 (1998)
Composition of commercial Cape chamomile oil (Eriocephalus punctulatus).
Mierendorff HG, et al.
Flavour and Fragrance Journal, 18(6), 510-514 (2003)

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