JUVENILE HORMONE III

Iupac Name：methyl
(2E,6E)-9-(3-ethyl-3-methyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate

Molecular Weight：266.38

Modify Date.: 2023-02-11 16:58

Introduction:

ChEBI: A member of the juvenile hormone family of compounds that is the methyl ester of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid.

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1. Names and Identifiers

1.1 Name: JUVENILE HORMONE III
1.2 Synonyms: (2E,6E)-3,7-Dimethyl-9-[(2R)-3α-ethyl-3-methyloxirane-2α-yl]-2,6-nonadienoic acid methyl ester (2E,6E)-9-[(2R)-3α-Ethyl-3-methyloxiran-2α-yl]-3,7-dimethyl-2,6-nonadienoic acid methyl ester 2,6-Nonadienoic acid, 9-(3-ethyl-3-methyloxiranyl)-3,7-dimethyl-, methyl ester JH II JH-2 JH-II Juvenile Hormone JUVENILE HORMONE 11 JUVENILE HORMONE II methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoate methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate methyl (2E,6E,10Z)-10,11-epoxy-3,7,11-trimethyl-2,6-tridecadienoate METHYL 7-METHYL-9-(3-ETHYL-3-METHYLOXIRANYL)-3-METHYL-2,6-NONADIENOATE Methyl 9-(3-ethyl-3-methyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate Methyl 9-(3-ethyl-3-methyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate Methyl(2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate Methyl-dl-12-homo-10-trans-juvenat TRANS,TRANS-10,11-EPOXY-3,7,11-TRIMETHYL-2,6-DODECADIENIC ACID METHYL ESTER

1.3 CAS No.: 34218-61-6

1.4 CID: 5459796

1.5 EINECS(EC#): 246-072-9

1.6 Molecular Formula: C17H28O3 (isomer)

1.7 Inchi: InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17+/m1/s1

1.8 InChkey: CPVQJXZBSGXTGJ-TZDLBHCHSA-N

1.9 Canonical Smiles: CCC1(C(O1)CCC(=CCCC(=CC(=O)OC)C)C)C

1.10 Isomers Smiles: CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C

2. Properties

2.1 Density: 0.956

2.1 Boiling point: 364.2°Cat760mmHg

2.1 Refractive index: nD23.5 1.4774

2.1 Flash Point: 152.2°C

2.1 Precise Quality: 280.20400

2.1 PSA: 38.83000

2.1 logP: 4.17990

2.1 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Definition: ChEBI: A member of the juvenile hormone family of compounds that is the methyl ester of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid. JUVENILE HORMONE IIISupplier

4. Safety and Handling

4.1 Risk Statements: 23-24/25

4.1 Safety Statements: 23-24/25

4.1 WGK Germany: 3

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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6. Other Information

6.0 Uses: Juvenile Hormone II is an acyclic sesquiterpenoid that regulates many aspects of insect physiology. Juvenile Hormone regulate development, reproduction, diapause, and polyphenisms.

6.1 Definition: ChEBI: A member of the juvenile hormone family of compounds that is the methyl ester of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid.

6.2 Definition: ChEBI: A member of the juvenile hormone family of compounds that is the methyl ester of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid.

7. Computational chemical data

Molecular Weight: 266.38g/mol
Molecular Formula: C₁₇H₂₈O₃
Compound Is Canonicalized: True
XLogP3-AA: 4.5
Exact Mass: 280.20384475
Monoisotopic Mass: 280.20384475
Complexity: 395
Rotatable Bond Count: 9
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 38.8
Heavy Atom Count: 20
Defined Atom Stereocenter Count: 2
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 2
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB4MAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADFSggAICCAAABACIAiDSCAAAAAAgAAAACAAAAEgABAIAIQACEAAEgAAIIQOAwMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==