Basic information
- CAS
5451-95-6- Standard SMILES
CCCCCCCCCOC(=O)c1ccccc1- InChIKey
VUHMHACHBVTPMF-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Overview
Nonyl benzoate has been reported in Buddleja crispa with data available.
Names & identifiers
- Preferred name
- Nonyl benzoate
- IUPAC
- nonyl benzoate
- English name
- nonyl benzoate
- Molecular formula
- C16H24O2
- Molecular weight
- 248.36
Names & synonyms
Nonyl benzoate5451-95-6N6B3TKN7YCNSC-21881DTXSID20202928RefChem:1092561DTXCID50125419226-691-0Benzoic acid nonyl esterBenzoic acid, nonyl estern-nonyl benzoateEINECS 226-691-0
Show more names
NONYL-BENZOATEUNII-N6B3TKN7YCSCHEMBL634555CHEMBL2271361SCHEMBL21693932NSC21881NSC 21881NS00033111
Database identifiers
- CAS
5451-95-6- PubChem CID
- 79547
- DTXSID
DTXSID20202928- ChEMBL
CHEMBL2271361- UNII
- N6B3TKN7YC
- EC Number
- 226-691-0
- Nikkaji
- J47.216F
Properties
Computed structural properties
- XLogP
- 6.2
- 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
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- solubility
- Insoluble in water, soluble in alcohol and oils.
- form
- Colourless oily liquid.
- Odor
- 100 % · at 100.00 %. myrrh sweet orange wintergreen minty
- Odor Type
- balsamic
- LogP
- 6.2 · 6.200 (est)
- FDA UNII
- 6 B3TKN7YC · N6B3TKN7YC
Chemistry & industry
Applications
UsesNonyl benzoate is occasionally used in perfume compositions, mainly of the “Oriental” and sweet balsamic type with Ylang-Ylang, Opopanax, Myrrh, etc.
Suppliers12 total
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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