Basic information
- CAS
6471-66-5- Standard SMILES
CCCCCCCCC(=O)OCc1ccccc1- InChIKey
KVIQEJMWUXBBQJ-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- Benzyl nonanoate
- IUPAC
- benzyl nonanoate
- English name
- Benzyl nonanoate
- Molecular formula
- C16H24O2
- Molecular weight
- 248.36
Names & synonyms
Benzyl nonanoate6471-66-5Nonanoic acid, phenylmethyl ester7MCG3KKQ5NEINECS 229-316-9FEMA NO. 4626DTXSID20215058NONANOIC ACID, BENZYL ESTERRefChem:566837DTXCID20137549Benzyl nonan-1-oateBenzyl n-nonanoate
Show more names
Nonanoic acid benzyl esterPelargonic acid benzyl ester
BENZYLPELARGONATEUNII-7MCG3KKQ5NBenzyl nonanoate #SCHEMBL3836540SCHEMBL8895871SCHEMBL8895873NS00022623H57392
Database identifiers
- CAS
6471-66-5- PubChem CID
- 80960
- DTXSID
DTXSID20215058- UNII
- 7MCG3KKQ5N
- EC Number
- 229-316-9
- Nikkaji
- J161.149F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.953-0.959 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point126-127 °C (< 1 mm Hg)
Refractive Index1.481-1.487
Physical DescriptionColourless liquid; Sweet, floral aroma
Physicochemical properties
- FEMA
- 4626 · 4626 | BENZYL NONANOATE
- Odor
- Faint, but fresh-balsamic, slightly fatty odor.
- Odor Type
- floral
- JECFA Number
- 2066 · 2066
- LogP
- 5.65 · 5.65
- Substances Added to Food (formerly EAFUS)
- BENZYL NONANOATE
- FDA UNII
- 7 MCG3KKQ5N · 7MCG3KKQ5N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
UsesAlthough mainly suitable as a solvent of low odor level, Benzyl nonanoate could be used as a blender: modifier in Oriental fragrance types, in Citrus fragrances (where it could act partly as a fixative) and in Fougeres, etc. However, it does not seem to have gained much popularity among creative perfumers.
Suppliers9 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
上海兰科化学有限公司021-61916491 15921747686 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…