Basic information
- CAS
488-10-8- Standard SMILES
CCC=CCC1=C(C)CCC1=O- InChIKey
XMLSXPIVAXONDL-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-
- IUPAC
- 3-methyl-2-pent-2-enylcyclopent-2-en-1-one
- English name
- Jasmone
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-3-methyl-2-pent-2-enylcyclopent-2-en-1-oneRefChem:4709743-Methyl-2-pent-2-enyl-cyclopent-2-enone3-methyl-2-(pent-2-en-1-yl)cyclopent-2-en-1-one2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2- pentenyl-(EZ)-jasmoneSCHEMBL5754568043-00-5DTXSID50859404AKOS0281089573-methyl-2-pent-2-enyl-cyclopent-2-en-1-one
Show more names
CIS-JASMONE(Z)-JASMONEFEMA 3196cis-JasmonJASMONEAids032327cis-JabarmeAids-032327Cis jasmineJASMONE, CIS-
3- methyl-2-(2-pentenyl)-2-cylco-penten-1-oneQ65952186
Database identifiers
- CAS
488-10-8- PubChem CID
- 10261
- DTXSID
DTXSID50859404
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Density0.934-0.950
Solubility
slightly soluble in water; soluble in ether
Miscible at room temperature (in ethanol)
Boiling Point248 °C
Refractive Index1.489-1.501
Physical DescriptionPale yellowish to straw-coloured oily liquid; odour of jasmine
Physicochemical properties
- Boiling point
- 134 · 134-135 °C12 mm Hg(lit.)
- Density
- 0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
- vapor pressure
- 0.91 Pa · 0.91Pa at 20℃
- FEMA
- 3196 · 3196 | 3-METHYL-2-(2-PENTENYL)-2-CYCLOPENTEN-1-ONE
- refractive index
- 20 · n20/D 1.498(lit.)
- FLAVIS Number
- 7.094 · 07.094 | 3-Methyl-2-(pent-2(cis)-enyl)cyclopent-2-en-1-one
- Flash point
- 225 °F · 225 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Colorless to Light orange to Yellow
- Odor
- 10 % · at 10.00 % in dipropylene glycol. woody herbal floral spicy jasmin celery
- Odor Type
- floral
- biological source
- synthetic
- Water Solubility
- 1.48 g/L · 1.48g/L at 20℃
- Merck
- 14 · 14,5259
- JECFA Number
- 1114 · 1114
- BRN
- 1907713 · 1907713
- Henry's Law Constant
- 5.2 · 5.2×100 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
- InChIKey
- IVLCENBZDYVJPA-ARJAWSKDSA-N
- SMILES
- [H]\C(CC)=C(/[H])CC1=C(C)CCC1=O
- LogP
- 2.8 at · 2.8 at 35℃
- CAS DataBase Reference
- 488 · 488-10-8(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- JASMONE, CIS-
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 W0G9YUK · RC4W0G9YUK
- NIST Chemistry Reference
- 2 · 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-(488-10-8)
- EPA Substance Registry System
- 2 · 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl- (488-10-8)
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 2 · 2
- RTECS
- 7301000 · GY7301000
- TSCA
- TSCA listed
- HS Code
- 29142990 · 29142990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Hazardous Substances Data
- 488 · 488-10-8(Hazardous Substances Data)
- Toxicity
- 50 · rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 845, 1979.
- REACH Registrations
- Active
Safety & regulation
Hazard information
Regulatory Information2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-: Does not have an individual approval but may be used under an appropriate group standard
Regulatory information
Regulatory Information2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GY7301000
- hs_code
- 29142990
- Toxicity
- rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 845, 1979.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 488-10-8(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
Applications
DescriptionThis has a jasmine odor.
OccurrenceThe cis-form is reportedly occurring naturally; it is found in the essential oils of jasmine (3%), jonquil, and Pittosporum glabratum, in neroli oil, in peppermint (Mentha piperita), and in bergamot, apricot, raspberry, cinnamon, corn mint and spearmint oils, beer, tea, soybean and heated beans.
UsesTraces, often mere fractions of one percent in a perfume oil may introduce just that wanted warmth and deep floral note almost unobtainable with other chemicals.Jasmone's flavor power is even greater. Concentrations of about 1 ppm have perceptible effect in many fruit flavors, while naturally, concentrations in Mint flavors are higher.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Additional notes
DefinitionA ketone found in jasmine oil and other flower oils.
Related reactions
1 records
Compound notes
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