Methyl 8-nonynoate
Basic information
- CAS
7003-48-7- Standard SMILES
C#CCCCCCCC(=O)OC- InChIKey
VYQSNYSJFCGYHK-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
Methyl 8-nonynoate has been reported in Hibiscus rosa-sinensis with data available.
Names & identifiers
- Preferred name
- Methyl 8-nonynoate
- IUPAC
- methyl non-8-ynoate
- English name
- 8-Nonynoic acid methyl ester
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
7003-48-7METHYL 8-NONYNOATE8-Nonynoic acid, methyl esterDTXSID30220315RefChem:157752DTXCID30142806VYQSNYSJFCGYHK-UHFFFAOYSA-Nmethyl non-8-ynoate8-Nonynoic acid methyl esterMethyl 8-nonynoate #SCHEMBL15541706SCHEMBL16287672
Show more names
AT21756EN300-23021905
Database identifiers
- CAS
7003-48-7- PubChem CID
- 23433
- DTXSID
DTXSID30220315- EC Number
- 881-656-2
- Nikkaji
- J110.897B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 6 Torr)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H227-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H227-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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