Basic information
- CAS
16429-07-5- Standard SMILES
CCCCCC=C1CCCCC1=O- InChIKey
VDZBUTVYLIWRCT-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- Cyclohexanone, 2-hexylidene-
- IUPAC
- 2-hexylidenecyclohexan-1-one
- English name
- 2-hexylidenecyclohexan-1-one
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
2-Hexylidenecyclohexan-1-oneCyclohexanone, 2-hexylidene-16429-07-5EINECS 240-481-6DTXSID3066053RefChem:580724DTXCID2035277240-481-62-hexylidene cyclohexan-1-oneSCHEMBL2047273VDZBUTVYLIWRCT-UHFFFAOYSA-N2-Hexylidenecyclohexan-1-one, Cyclohexanone, 2-hexylidene-, EINECS 240-481-6, CID86002, 16429-07-5
Show more names
2-Hexylidenecyclohexanone
DB-286409NS00012610
Database identifiers
- CAS
16429-07-5- PubChem CID
- 86002
- DTXSID
DTXSID3066053- EC Number
- 240-481-6
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
FragrancesFragrance substance (2-Hexylidenecyclohexan-1-one) -> IFRA amendment 51
Physicochemical properties
- Boiling point
- 102 · 102-108 °C(Press: 2.3 Torr)
- Density
- 0.968 · 0.968±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.523 · 2.523 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Cyclohexanone, 2-hexylidene- (16429-07-5)
- TSCA
- TSCA listed
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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Cyclohexanone, 2-hexylidene-
Other Safety InformationIMAP assessments - Cyclohexanone, 2-hexylidene-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
2-Hexylidenecyclohexan-1-one
2-Hexylidenecyclohexan-1-one; 2-Hexylidenecyclohexanone; Cyclohexanone, 2-hexylidene-
IFRA_STD_227.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
General Manufacturing InformationCyclohexanone, 2-hexylidene-: ACTIVE
Restriction Limits in the Finished Product (%)
0.023 [Products applied to the lips]
0.0069 [Products applied to the axillae]
0.14 [Products applied to the face/body using fingertips]
0.13 [Products related to fine fragrances]
0.033 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.033 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
BOC Sciences[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…