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METHYL JASMONATE

CAS 1211-29-6C13H20O3MW 224.30

METHYL JASMONATE (CAS 1211-29-6) — formula C13H20O3, molecular weight 224.30; category organic chemicals.

Product Overview

CAS Number1211-29-6
Molecular FormulaC13H20O3
Molecular Weight224.30
Melting Point25 °C
Boiling PointBP: 110 °C at 0.2 mm Hg
LogP1.9
CategoryOrganic Chemicals

Technical Profile

What this product is

METHYL JASMONATE is a carbon-based organic compound with CAS registry number 1211-29-6 and molecular formula C13H20O3 (molecular weight 224.30), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 1211-29-6

Its molecular formula C13H20O3 comprises 13 C, 20 H, 3 O atoms.

Also known as: METHYL JASMONATE · 茉莉酸甲酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of METHYL JASMONATE?

The CAS registry number of METHYL JASMONATE is 1211-29-6.

What is the molecular formula and molecular weight of METHYL JASMONATE?

Molecular formula C13H20O3, molecular weight 224.30.

What other names is METHYL JASMONATE known by?

It is also registered under: METHYL JASMONATE, 茉莉酸甲酯.

Which category does METHYL JASMONATE belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for METHYL JASMONATE (CAS 1211-29-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number1211-29-6
PubChem CID5281929
Molecular formulaC13H20O3
IUPAC namemethyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
UNII (FDA)900N171A0F
FEMA number3410
JECFA number1400

Computed descriptors

Molecular Weight224.30
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass224.14124450
Monoisotopic Mass224.14124450
Topological Polar Surface Area43.4
Heavy Atom Count16

Physicochemical values on record

Boiling PointBP: 110 °C at 0.2 mm Hg
Boiling Point110.00 °C. @ 0.20 mm Hg
Boiling Point94 °C (0.05 mm Hg)
Melting Point25 °C
Density1.017-1.023
Refractive Index1.470-1.476

Documented uses on record

    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. ...

    Synonyms and trade names

    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)))-

    Regulatory listings held on file

    Regulatory & Food ContactFDA 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 summary100% (89 / 89)

    GHS hazard classification

    GHS notification summary100% (89 / 89)
    Reported hazard statementsH317 (100%)

    This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.

    Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.

    What the public record says

    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).

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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