Methyl 3-nonenoate
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Basic information
- CAS
13481-87-3- Standard SMILES
CCCCCC=CCC(=O)OC- InChIKey
MTDCXFZGUVZRSQ-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Methyl 3-nonenoate
- IUPAC
- methyl non-3-enoate
- English name
- FEMA 3710
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
Methyl 3-nonenoateMethyl non-3-enoate13481-87-33-Nonenoic acid, methyl esterDTXSID10476592M3M6634B7DTXCID9027659METHYL 3-NONENOATE [FHFI]RefChem:815597methyl (E)-3-nonenoateEINECS 236-786-9SCHEMBL874553
Show more names
FEMA 3710Fema no. 3710Methyl nonenateMethyl nonenoateMethylnon-3-enoatMETHYL T3 NONENOATEFEMA 3710 USP/EP/BP
CHEMBL3183304SCHEMBL16288317UNII-2M3M6634B7DB-042253NS00086376
Database identifiers
- CAS
13481-87-3- PubChem CID
- 61631
- DTXSID
DTXSID1047659- ChEMBL
CHEMBL3183304- EC Number
- 236-786-9
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- 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
- 139
Experimental & physicochemical properties
Density0.880-0.900 (20 °C)
Solubility
insoluble in water
(in ethanol)
Boiling Point90 °C (18 mmHg)
Refractive Index1.432-1.442
Physical Descriptionclear, colourless liquid
Physicochemical properties
- Boiling point
- 212.7 · 212.7±9.0 °C(Predicted)
- Density
- 0.885 g/mL · 0.885 g/mL at 25 °C(lit.)
- FEMA
- 3710 · 3710 | METHYL 3-NONENOATE
- refractive index
- 20 · n20/D 1.436(lit.)
- FLAVIS Number
- 9.298 · 09.298 | Methyl non-3-enoate
- Flash point
- 191 °F · 191 °F
- Odor
- 100 % · at 100.00 %. fruity green watermelon rind pear skin honeydew juicy fatty dry
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
This chemical does not meet GHS hazard criteria for 100% (93 of 93) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 93 of 93 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 93 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 93 of 93 reports by companies.；There are 0 notifications provided by 0 of 93 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 3-Nonenoic acid, methyl ester
3-Nonenoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-Nonenoic acid, methyl ester: Environment tier I assessment；IMAP assessments - 3-Nonenoic acid, methyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory Information
Chemical: 3-Nonenoic acid, methyl ester
3-Nonenoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information3-Nonenoic acid, methyl ester: ACTIVE
Applications
DescriptionMethyl 3-nonenoate has a watermelon-like odor.
OccurrenceReported found in hop oil and guava
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
3 records
Compound notes
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