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| CAS No.: | 13466-78-9 |
|---|---|
| Name: | 3-CARENE |
| Molecular Structure: | |
|
|
|
| Formula: | C10H16 |
| Molecular Weight: | 136.237 |
| Synonyms: | 3-Carene(8CI); (?à)-3-Carene; (?à)-D3-Carene; D3-Carene |
| Density: | 0.857 g/mL at 25oC(lit.) |
| Melting Point: | 25°C |
| Boiling Point: | 168-169oC705 mm Hg(lit.) |
| Flash Point: | 115 °F |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R10;R38;R43;R52/53; |
| Safety: | Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and fumes. |
| PSA: | 0.00000 |
| LogP: | 2.99870 |
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- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 3479-89-8
3,7,7-trimethyl-cyclohepta-1,3,5-triene
A
- 2158-55-6
1,1,4-trimethylcycloheptane
B
- 554-61-0
2-carene
C
- 7348-54-1
1,5,5-trimethylcycloheptene
D
- 4755-36-6
1,4,4-trimethylcycloheptene
E
- 554-59-6
carane
F
- 13466-78-9
3-carene
| Conditions | Yield |
|---|---|
| With hydrogen; platinum In hexane at 20 - 22℃; Product distribution; various amounts of hydrogen; | A 59% B 0.7% C 27.1% D 9.4% E 1.8% F 1.4% |
- 554-61-0
2-carene
A
- 99-86-5
1-methyl-4-isopropyl-1,3-cyclohexadiene
B
- 99-87-6
4-methylisopropylbenzene
C
- 586-63-0
isoterpinolene
D
- 13466-78-9
3-carene
| Conditions | Yield |
|---|---|
| thionin-supported zeolite Na-Y In hexane at 20℃; for 0.5h; Product distribution; | A 25% B 18% C 40% D 10% |
- 3479-89-8
3,7,7-trimethyl-cyclohepta-1,3,5-triene
A
- 2158-55-6
1,1,4-trimethylcycloheptane
B
- 7348-54-1
1,5,5-trimethylcycloheptene
C
- 4755-36-6
1,4,4-trimethylcycloheptene
D
- 13466-78-9
3-carene
| Conditions | Yield |
|---|---|
| With hydrogen; platinum In hexane at 20 - 22℃; Yield given. Further byproducts given; | |
| With hydrogen; platinum In hexane at 20 - 22℃; Yield given. Further byproducts given. Title compound not separated from byproducts; |
- 15103-32-9
4-hydroxymethyl-2-carene
A
- 554-61-0
2-carene
B
- 100102-73-6
3,4,7,7-tetramethyl-1,3,5-cycloheptatriene
C
- 103200-82-4, 106007-94-7
4-methyl-3(10),4-caradiene
D
- 13466-78-9
3-carene
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 250℃; Product distribution; | A 2.6 % Chromat. B 28.6 % Chromat. C 11.9 % Chromat. D 3.5 % Chromat. |
| With potassium hydroxide at 250℃; | A 2.6 % Chromat. B 28.6 % Chromat. C 11.9 % Chromat. D 3.5 % Chromat. |
- 936-91-4, 936-92-5, 2225-98-1, 21218-11-1, 35671-18-2
α-3,4-Epoxycarane
A
- 2517-19-3
3-caren-10-ol
B
- 3479-89-8
3,7,7-trimethyl-cyclohepta-1,3,5-triene
C
- 86361-47-9, 104048-19-3
cara-3(10),4-diene
D
- 13466-78-9
3-carene
| Conditions | Yield |
|---|---|
| rhenium(VII) oxide on aluminum oxide at 150℃; for 1h; Product distribution; in sealed tube, other catalysts and reaction time tested; | A 6.2 % Chromat. B 8.8 % Chromat. C 6.0 % Chromat. D 6.2 % Chromat. |
- 13466-78-9
3-carene
- 2225-98-1
3,4-epoxycarane
| Conditions | Yield |
|---|---|
| With disodium hydrogenphosphate; 1,1,1,3',3',3'-hexafluoro-propanol; dihydrogen peroxide at 20℃; for 21h; | 98% |
| With 1-methyl-1H-imidazole; 3-Methylpyrazole; dihydrogen peroxide; methyltrioxorhenium(VII) In dichloromethane at 10℃; for 4h; | 94% |
| With sodium dihydrogenphosphate; phosphoric acid; dihydrogen peroxide; methyl tri-n-octyl ammonium hydrogen sulfate; sodium tungstate; sodium sulfate In toluene at 70℃; for 4h; | 88% |
| Conditions | Yield |
|---|---|
| In diethyl ether for 5h; Ambient temperature; | 92% |
- 13466-78-9
3-carene
- 554-59-6
carane
| Conditions | Yield |
|---|---|
| With nickel(II) bis(octanoate); hydrogen; 1,4-bis(2,6-diisopropylphenyl)-2,3-dimethyl-1,4-diazabuta-1,3-diene; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In benzene-d6 at 50℃; under 3040.2 Torr; for 12h; Reagent/catalyst; | 90% |
| With hydrogen; platinum In ethanol |
- 53724-68-8
1-phenyl-5-tetrazolyl sulfenyl chlorides
- 13466-78-9
3-carene
| Conditions | Yield |
|---|---|
| In 1,2-dichloro-ethane at -20 - 20℃; for 3h; | 88.2% |
- 81290-20-2
(trifluoromethyl)trimethylsilane
- 13466-78-9
3-carene
| Conditions | Yield |
|---|---|
| With sodium iodide In tetrahydrofuran at 120℃; under 6000.6 Torr; for 0.166667h; Inert atmosphere; Flow reactor; | 88% |
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Chemistry
MF: C10H16
MW: 136.23
EINECS: 236-719-3
bp： 168-169 °C705 mm Hg(lit.)
density： 0.857 g/mL at 25 °C(lit.)
FEMA： 3821
refractive index ： n20/D 1.474(lit.)
Fp： 115 °F
storage temp.： Flammables area
Merck： 1836
The structure of 3-CARENE is:
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H | FCTXAV Food and Cosmetics Toxicology. 11 (1973),1053. | ||
| 2. | orl-rat LD50:4800 mg/kg | FCTXAV Food and Cosmetics Toxicology. 11 (1973),1053. |
Consensus Reports
Safety Profile
RIDADR： UN 2319 3/PG 3
WGK Germany： 2
RTECS： FH8400000
HazardClass： 3.2
PackingGroup： III
Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and fumes.
Standards and Recommendations
Specification
1、Fire Fighting Measures of 3-CARENE
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Flammable liquid and vapor.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
2、Handling and Storage of 3-CARENE
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area.