Basic information
- CAS
39495-82-4- Standard SMILES
C=C(C)CCCC(=O)OCC- InChIKey
YAGNKYLIKNJGBM-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Ethyl 5-methylhex-5-enoate
- IUPAC
- ethyl 5-methylhex-5-enoate
- English name
- Ethyl 5-methyl-5-hexenoate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
ethyl 5-methylhex-5-enoateRefChem:595823813-569-239495-82-4Ethyl 5-methyl-5-hexenoate5-Hexenoic acid, 5-methyl-, ethyl esterMFCD00671855Ethyl 5-methylhex-5-enoatEthyl5-methylhex-5-enoate5-methyl-5-hexenoic acid ethyl esterEthyl 5-methyl-5-hexenoate #Ethyl5-methylhex-5-enoate97%
Show more names
orb2664788orb2900388SCHEMBL9816382DTXSID00339645YAGNKYLIKNJGBM-UHFFFAOYSA-NAKOS015900324DS-4095CS-0151585
Database identifiers
- CAS
39495-82-4- PubChem CID
- 557516
- DTXSID
DTXSID00339645- EC Number
- 813-569-2
- Nikkaji
- J133.731I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 123 ℃ · 123℃ (10 Torr)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271
- HS Code
- 2915907098 · 2915907098
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2915907098
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271
Chemistry & industry
Applications
UsesEthyl 5-Methyl-5-hexenoate is used in preparation of Isoxazoline compounds. It is also, used in activation of primary and secondary Benzylic and tertiary alkyl (sp3)C-F bonds inside a self-assembled molecular container.
Suppliers27 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海亮益精细化工有限公司021-62594801 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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