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4695-62-9

Basic Information
CAS No.: 4695-62-9
Name: (-)-FENCHONE
Article Data: 28
Molecular Structure:
Molecular Structure of 4695-62-9 ((-)-FENCHONE)
Formula: C10H16 O
Molecular Weight: 152.236
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
Density: 0.982g/cm3
Melting Point: 5-6 °C(lit.)
Boiling Point: 192-194 °C(lit.)
Flash Point: 52.8°C
Solubility: 2.147g/L(25 oC)
Hazard Symbols: R10:Flammable.;
Risk Codes: 10
Safety: Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 17.07000
LogP: 2.40170
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Chemistry

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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 

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)- .