茉莉酸甲酯

Description

METHYL JASMONATE · CAS 1211-29-6 · C13H20O3. UNII 900N171A0F. Boiling Point: BP: 110 °C at 0.2 mm Hg; Boiling Point: 110.00 °C. @ 0.20 mm Hg; Boiling Point: 94 °C (0.05 mm Hg).

Identification

CAS Registry Number	1211-29-6
PubChem CID	5281929
Molecular formula	C13H20O3
IUPAC name	methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
UNII (FDA)	900N171A0F
FEMA number	3410
JECFA number	1400

Computed Descriptors

Molecular Weight	224.30
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	224.14124450
Monoisotopic Mass	224.14124450
Topological Polar Surface Area	43.4
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Boiling Point	BP: 110 °C at 0.2 mm Hg
Boiling Point	110.00 °C. @ 0.20 mm Hg
Boiling Point	94 °C (0.05 mm Hg)
Melting Point	25 °C
Density	1.017-1.023
Refractive Index	1.470-1.476

Physical description & handling notes

• Colorless liquid with a sharp odor; [Merck Index]
• Solid
• Colourless oily liquid; Powerful floral-herbaceous, sweet aroma
• Colorless liquid
• Sharp persistent odor
• > 113 degrees C (> 235 degrees F) - closed cup

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Floral No safety concern at current levels of intake when used as a flavouring agent TRS 928-JECFA 63/86
GHS notification summary	100% (89 / 89)

GHS Hazard Classification

GHS notification summary	100% (89 / 89)
Reported hazard statements	H317 (100%)

Documented Uses

• Main aroma constituent of the natural plant growth inhibitor jasmonic acid; Used in perfumes; [Merck Index] Used as flavoring agent or adjuvant; [FDA]
• Jasmonates are plant stress hormones. These small hydrophobic compounds exhibit anti-cancer activities, in vitro and in vivo, against cancer cells of various histological origins. ...
• Jasminum officinale L. var. grandiflorum ... is a folk medicine used for the treatment of hepatits in south of China...
• Methyl jasmonate extends shelf life and reduces microbial contamination of fresh-cut celery and peppers.
• Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association) [Table#8096]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Synonyms

Methyl jasmonate; 1211-29-6; (-)-Methyl jasmonate; Methyl cis-jasmonate; Jasmonic acid methyl ester; (-)-Jasmonic acid methyl ester; methyl (-)-jasmonate; methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate; CHEBI:15929; Methyl (2-pent-2-enyl-3-oxo-1-cyclopentyl)acetate; 900N171A0F; 3-oxo-2-(2-pentenyl)cyclopentaneacetic acid methyl ester; DTXSID3036731; Cyclopentaneacetic acid, 3-oxo-trans-2-(cis-2-pentenyl), methyl ester; Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, (Z)-trans-; Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, (1R-(1alpha,2beta(Z)))-

Frequently Asked Questions

What are the CAS number and molecular formula of METHYL JASMONATE?

CAS 1211-29-6; molecular formula C13H20O3; molecular weight — g/mol.

What other names is METHYL JASMONATE known by?

Methyl jasmonate, 1211-29-6, (-)-Methyl jasmonate, Methyl cis-jasmonate, Jasmonic acid methyl ester, (-)-Jasmonic acid methyl ester.

What is the regulatory status of METHYL JASMONATE?

Documented regulatory listings: FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

Is METHYL JASMONATE classified as hazardous?

100% of GHS notifications report no hazard classification (89 of 89).

What are the key physical properties of METHYL JASMONATE?

Boiling Point: BP: 110 °C at 0.2 mm Hg; Boiling Point: 110.00 °C. @ 0.20 mm Hg; Boiling Point: 94 °C (0.05 mm Hg); Melting Point: 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.