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Merck
CN

59677

Methyl dihydrojasmonate, mixture of cis and trans

analytical standard

Synonym(s):

(3-Oxo-2-pentylcyclopentyl)acetic acid methyl ester, Methyl (3-oxo-2-pentylcyclopentyl)acetate

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About This Item

Empirical Formula (Hill Notation):
C13H22O3
CAS Number:
24851-98-7
Molecular Weight:
226.31
NACRES:
NA.24
PubChem Substance ID:
329758697
UNSPSC Code:
85151701
EC Number:
246-495-9
MDL number:
MFCD00085362

Key Documents

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Product Name

Methyl dihydrojasmonate, mixture of cis and trans, analytical standard

InChI

1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3

InChI key

KVWWIYGFBYDJQC-UHFFFAOYSA-N

SMILES string

CCCCCC1C(CCC1=O)CC(=O)OC

grade

analytical standard

assay

≥96.0% (GC)

shelf life

limited shelf life, expiry date on the label

refractive index

n20/D 1.459 (lit.)

bp

110 °C/0.2 mmHg (lit.)

density

0.998 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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General description

Methyl dihydrojasmonates (MDJ) are grouped under the class of cyclopentanones. MDJ is a widely used fragrance ingredient in perfume industries because of its intense floral, jasmine-like odor. Both the trans and cis methyl dihydrojasmonate mixture may be isolated from Jasminum grandiflorum L.

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL3008
BCCK3777
BCCH9275
BCCC6170
BCCB4770

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Evaluation of the developmental toxicity of methyl dihydrojasmonate (MDJ) in rats
Politano VT, et al.
International Journal of Toxicology, 27(3), 295-300 (2008)
Enantioselective synthesis and absolute stereochemistry of both the enantiomers of trans-magnolione, a fragrance structurally related to trans-methyl jasmonate
Donnoli MI, et al.
Tetrahedron, 60(23), 4975-4981 (2004)
Fragrance material review on methyl dihydrojasmonate
Scognamiglio J, et al.
Food And Chemical Toxicology, 50(23), S562-S571 (2012)

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