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Basic information
- CAS
105-85-1- Standard SMILES
CC(C)=CCCC(C)CCOC=O- InChIKey
DZNVIZQPWLDQHI-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.279 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- Citronellyl formate
- IUPAC
- 3,7-Dimethyloct-6-en-1-yl formate
- English name
- CITRONELLYL FORMATE
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
FEMA 23146-Octen-1-ol, 3,7-dimethyl-, 1-formateNSC 46117Vanillyl formateCitronellylformiatcitronellolformateCitronelyl formateCITROBELLYLFORMATECITRONELLYL FORMATE FCCformicacid,citronellylester
Database identifiers
- CAS
105-85-1、93919-91-6、93919-93-8- PubChem CID
- 7778
- DTXSID
DTXSID1044772- ChEMBL
CHEMBL3184928- ChEBI
CHEBI:31406- UNII
- 7B1MY2BRDK
- EC Number
- 203-338-9、300-076-8、300-078-9
- Nikkaji
- J2.854A、J320.490A、J325.841F
Properties
Physicochemical properties
- Melting point
- -58.7 °C · -58.7°C (estimate)
- Boiling point
- 235 °C · 235 °C(lit.)
- Density
- 0.897 g/mL · 0.897 g/mL at 25 °C(lit.)
- vapor pressure
- 4 Pa · 4Pa at 20℃
- refractive index
- 20 · n20/D 1.446(lit.)
- FEMA
- 2314 · 2314 | CITRONELLYL FORMATE
- FLAVIS Number
- 9.078 · 09.078 | Citronellyl formate
- Flash point
- 198 °F · 198 °F
- storage temp.
- Sealed in dry,Room Temperature
- Specific Gravity
- 0.89 · 0.89
- Odor
- 100 % · at 100.00 %. bergamot cucumber rose apricot peach plum
- Appearance
- Colorless to light yellow Liquid
- Odor Type
- floral
- biological source
- synthetic
- Water Solubility
- 16.2 mg/L · 16.2mg/L at 20℃
- JECFA Number
- 53 · 53
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3
- InChIKey
- DZNVIZQPWLDQHI-UHFFFAOYSA-N
- SMILES
- CC(CCOC=O)CC\C=C(\C)C
- LogP
- 3.9 at · 3.9 at 20℃
- CAS DataBase Reference
- 105 · 105-85-1
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
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RH3480000
- Toxicity
- rat,LD50,oral,8400mg/kg (8400mg/kg),Food and Cosmetics Toxicology. Vol. 11, Pg. 1073, 1973.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Skin Irrit. 2Skin Sens. 1B
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
OccurrenceReported present in geranium essential oil and in the oils of Rosa borbonica, Cupressus lusitanica. Reported found in mandarin, satsuma and kumquat peel oil, laurel (Laurus nobilis L.), lovage root, black currant buds, basil and honey.
UsesFlavoring.
Preparation methods
PreparationBy direct esterification of citronellol with formic acid.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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