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Cas Database |
| Name |
d-Fenchone |
EINECS | N/A |
| CAS No. | 4695-62-9 | Density | 0.982g/cm3 |
| PSA | 17.07000 | LogP | 2.40170 |
| Solubility | 2.147g/L(25 oC) | Melting Point |
5-6 °C(lit.) |
| Formula | C10H16 O | Boiling Point |
192-194 °C(lit.) |
| Molecular Weight | 152.236 | Flash Point | 52.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | 10 |
| Molecular Structure |
|
Hazard Symbols | R10:Flammable.; |
| Synonyms |
2-Norbornanone,1,3,3-trimethyl-, (1S,4R)-(+)- (8CI); Bicyclo[2.2.1]heptan-2-one,1,3,3-trimethyl-, (1S)-; (+)-Fenchone; (1S)-Fenchone; (S)-(+)-Fenchone;(S)-Fenchone; D(+)-Fenchone; D-Fenchone |
Article Data | 28 |
d-Fenchone Chemical Properties
Product Name: d-Fenchone (CAS NO.4695-62-9)
Molecular Formula: C10H16O
Molecular Weight: 152.23g/mol
Mol File: 4695-62-9.mol
Einecs: 232-107-5
Appearance: Clear colorless to pale yellow liquid
Melting Point: 5-6 °C(lit.)
Boiling point: 193.5 °C at 760 mmHg
Flash Point: 52.8 °C
Density: 0.948 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.461(lit.)
Surface Tension: 31.5 dyne/cm
Enthalpy of Vaporization: 42.97 kJ/mol
Vapour Pressure: 0.463 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of d-Fenchone (CAS NO.4695-62-9):
IUPAC Name: (1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
Canonical SMILES: CC1(C2CCC(C2)(C1=O)C)C
Isomeric SMILES: C[C@]12CC[C@H](C1)C(C2=O)(C)C
InChI: InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChIKey: LHXDLQBQYFFVNW-XCBNKYQSSA-N
Product Categories: Miscellaneous Natural Products; Bicyclic Monoterpenes; Biochemistry; Terpenes
d-Fenchone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 6160mg/kg (6160mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
d-Fenchone Consensus Reports
Reported in EPA TSCA Inventory.
d-Fenchone Safety Profile
Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information of d-Fenchone (CAS NO.4695-62-9):
Risk Statements: 10
10: Flammable
Safety Statements: 23-24/25
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24: Avoid contact with skin
25: Avoid contact with eyes
d-Fenchone Specification
d-Fenchone,its CAS NO. is 4695-62-9,the synonyms is (+)-Fenchone ; (1R)-1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one ; 1,3,3-Trimethyl-2-norbornanone, D- ; 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one ; 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one, (1S)- ; 2-Fenchanone, D- ; 2-Norbornanone, 1,3,3-trimethyl-, (1S,4R)-(+)- ; Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1S)- ; EINECS 225-160-0 ; FEMA No. 2479 ; d-1,3,3-Trimethyl-2-norbornanone ; d-1,3,3-Trimethyl-2-norcamphanone ; (1S)-1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one ; Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1S,4R)- .
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