JH I

Iupac Name：methyl (2E,6E)-7-ethyl-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3-methylnona-2,6-dienoate

Molecular Weight：294.429

Modify Date.: 2022-11-25 08:11

Introduction:

Juvenile hormone I is a member of the juvenile hormone family of compounds that is the methyl ester of methyl (2E,6E,10R,11S)-10,11-epoxy-7-ethyl-3,11-dimethyl-2,6-tridecanoic acid. It is an enoate ester, an epoxide, a fatty acid methyl ester and a juvenile hormone.

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1. Names and Identifiers

1.1 Name: JH I
1.2 Synonyms: 12,14-dihomojuvenate 2,6-tridecadienoicacid,3,11-dimethyl-10,11-epoxy-7-ethyl-,methylester,(e,e 7-Ethyl-10.11-epoxy-3.11-dimethyl-trideca-2.6-diensaeure-methylester ay22243 c18-juvenilehormone cecropiajuvenilehormone d,l-Methyl-3,11-dimethyl-10,11-cis-epoxy-7-ethyl-2-trans,6-trans-tridecadienoat JH 1 JUVENILE HORMONE 1 juvenilehormonei methyl (2E,6E)-7-ethyl-9-[(2R,3S)-3-ethyl-3-methyl-2-oxiranyl]-3-methyl-2,6-nonadienoate methyl (2E,6E)-7-ethyl-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3-methylnona-2,6-dienoate methyl (2E,6E,10Z)-10,11-epoxy-7-ethyl-3,11-dimethyl-2,6-tridecadienoate methyl12,14-dihomojuvenate methyl-12-homojuvenate

1.3 CAS No.: 13804-51-8

1.4 CID: 11197171

1.5 Molecular Formula: C18H30O3 (isomer)

1.6 Inchi: InChI=1S/C18H30O3/c1-6-15(11-12-16-18(4,7-2)21-16)10-8-9-14(3)13-17(19)20-5/h10,13,16H,6-9,11-12H2,1-5H3/b14-13+,15-10+/t16-,18+/m1/s1

1.7 InChkey: RQIDGZHMTWSMMC-TZNPKLQUSA-N

1.8 Canonical Smiles: CCC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C)CC

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

2. Properties

2.1 Density: 0.95

2.1 Boiling point: 379.2°C at 760 mmHg

2.1 Refractive index: 1.471

2.1 Flash Point: 159.3°C

2.1 Precise Quality: 294.21900

2.1 PSA: 38.83000

2.1 logP: 4.57000

3. Use and Manufacturing

3.1 Definition: ChEBI: A member of the juvenile hormone family of compounds that is the methyl ester of methyl (2E,6E,10R,11S)-10,11-epoxy-7-ethyl-3,11-dimethyl-2,6-tridecanoic acid. JH ISupplier

4. 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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5. Other Information

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

5.1 Mesh Entry Terms: C18-juvenile hormone

6. Computational chemical data

Molecular Weight: 294.429g/mol
Molecular Formula: C₁₈H₃₀O₃
Compound Is Canonicalized: True
XLogP3-AA: 4.9
Exact Mass: 294.21949481
Monoisotopic Mass: 294.21949481
Complexity: 409
Rotatable Bond Count: 10
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 38.8
Heavy Atom Count: 21
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: AAADceB4MAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADFSggAICCAAABACIAiDSCAAAAAAgAAAACAAAAEgABAIAIQACEAAEgAAIIQOAwOAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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