Basic information
- CAS
95-41-0- Standard SMILES
CCCCCCC1=CCCC1=O- InChIKey
VGECIEOJXLMWGO-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.1357652
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Hexyl-2-cyclopenten-1-one
- IUPAC
- 2-hexylcyclopent-2-en-1-one
- English name
- ISOJASMONE
- Molecular formula
- C11H18O
- Molecular weight
- 166.26
Names & synonyms
Dihydroisojasmone95-41-02-Hexyl-2-cyclopenten-1-one2-Hexylcyclopent-2-enone2-Hexyl-2-cyclopentenone2-Cyclopenten-1-one, 2-hexyl-FEMA No. 3552NSC-78462DTXSID3052640RefChem:472908DTXCID0031213202-417-5
Show more names
FEMA 3552ISOJASMOLISOJASMONISOJASMONEISO JASMONE TISOJASMONE B-11ISOJASMONE T(TM)ISOJASMONE USP/EP/BP
2-Hexylcyclopent-2-en-1-oneDihydro-isojasmone2-n-Hexyl-2-cyclopenten-1-oneUNII-VSY2Y3L5M0EINECS 202-417-5VSY2Y3L5M0NSC 78462BRN 1931570
Database identifiers
- CAS
95-41-0- PubChem CID
- 66768
- DTXSID
DTXSID3052640- UNII
- VSY2Y3L5M0
- EC Number
- 202-417-5
- Nikkaji
- J55.445F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Dihydroisojasmone) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 254.5 °C · 254.5°C (rough estimate)
- Density
- 0.8997 · 0.8997 (rough estimate)
- vapor pressure
- 0.006 Pa · 0.006Pa at 20℃
- refractive index
- 1.4677 · 1.4677 (estimate)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. sweet floral herbal woody jasmin celery fresh dry waxy
- Odor Type
- floral
- Water Solubility
- 252.21 mg/L · 252.21mg/L at 20℃
- JECFA Number
- 1115 · 1115
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8H,2-7,9H2,1H3
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 99% (1546 of 1561) of all reports.
Not Classified
Aggregated GHS information provided per 1561 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Cyclopenten-1-one, 2-hexyl-
Status: Active Update: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26092
2-Cyclopenten-1-one, 2-hexyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315
- REACH Registrations
- Active
- Hazard Classifications
- Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P332+P313-P362+P364
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain Dihydroisojasmone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Cyclopenten-1-one, 2-hexyl-: ACTIVE
Applications
Uses2-Hexyl-2-cyclopenten-1-one is used in perfume compositions for its floral effect mainly in such florals where a distinctly fruity note is acceptable or even desirable ( "White Shoulders" - type of fragrance). It blends well with the heavy fruity notes from Undecanolide and the musky notes from Ethylene brassylate or newer synthetic musks. Ionones and particularly Methylionones supply very good background for this Jasmone-derivative. The use in flavors is very small, since the I taste of this mixture is inferior to that of Dihydro jasmone and other single chemicals.
Suppliers59 total
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
Syntechem Co.,Ltd[email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
Related reactions
13 records
Compound notes
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