(1S)-(+)-3-Carene CAS 498-15-7
Introduction：Basic information about (1S)-(+)-3-Carene CAS 498-15-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
(1S)-(+)-3-Carene Basic information
| Product Name: | (1S)-(+)-3-Carene |
| Synonyms: | (1S)-(+)-car-3-ene;(1S)-3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-3-ENE;(1S)-(+)-3-CARENE;(+)-3-CARENE, TERPENE STANDARD;Bicyclo4.1.0hept-3-ene, 3,7,7-trimethyl-, (1S,6R)-;(+)-3-Carene, (1S)-3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene;(1S,6R)-3-Carene;(1S,6α)-3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene |
| CAS: | 498-15-7 |
| MF: | C10H16 |
| MW: | 136.23 |
| EINECS: | 207-856-6 |
| Product Categories: | |
| Mol File: | 498-15-7.mol |
(1S)-(+)-3-Carene Chemical Properties
| Melting point | 25°C (estimate) |
| Boiling point | 170-172 °C(lit.) |
| alpha | 17 º (NEAT) |
| density | 0.865 g/mL at 25 °C(lit.) |
| vapor pressure | 2.73hPa at 20℃ |
| refractive index | n |
| Fp | 131 °F |
| storage temp. | -20°C |
| solubility | soluble in Acetone,Ethanol,Benzene |
| form | liquid (clear) |
| color | clear very slightly yellow |
| Odor | sweet |
| Optical Rotation | [α]20/D +17°, neat |
| Water Solubility | 3.7mg/L at 20℃ |
| Merck | 14,1836 |
| BRN | 1902767 |
| Major Application | food and beverages |
| InChI | 1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1 |
| InChIKey | BQOFWKZOCNGFEC-BDAKNGLRSA-N |
| SMILES | CC1=CC[C@@H]2[C@H](C1)C2(C)C |
| LogP | 4.38 at 37℃ |
| CAS DataBase Reference | 498-15-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S)-(498-15-7) |
| EPA Substance Registry System | Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S,6R)- (498-15-7) |
Safety Information
| Hazard Codes | Xi,N |
| Risk Statements | 10-50/53-43 |
| Safety Statements | 36/37-60-61 |
| RIDADR | UN 2319 3/PG 3 |
| WGK Germany | 2 |
| RTECS | FH8400000 |
| F | 10-23 |
| HS Code | 2902.19.0050 |
| HazardClass | 3 |
| PackingGroup | III |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Asp. Tox. 1 Flam. Liq. 3 Skin Irrit. 2 Skin Sens. 1 |
| Uses | Chiral building block for the preparation of bicyclo[3.2.0]heptenes that are useful intermediates in the synthesis of (+)-lineatin and both enantiomers of capnellene. Has been converted to its corresponding allenyl allylic ether for studies of its thermal isomerization chemistry. Precursor to di(4-isocaranyl)borane, an asymmetric hydroboration reagent for olefins. |
| Production Methods | 3-Carene is obtained exclusively by fractionaldistillation of certain turpentines. |
| Definition | ChEBI: A car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has S configuration at position 1 and R configuration at position 6. |
| General Description | (1S)-(+)-3-Carene is a monoterpene. |
| Chemical Reactivity | 3-Carene readily undergoes autoxidation and resinification in air. Addition of pyrogallol or resorcinol as stabilizers is recommended. On treatment with peracetic acid in glacial acetic acid and subsequent saponification, 3-carene is oxidized to 3,4- caranediol.Pyrolysis at 300–580 ℃ in the presence of Fe(III) oxide on carriers gives p-cymene as the main product. |
(1S)-(+)-3-Carene Preparation Products And Raw materials
| Raw materials | Toluene-->Chlorine-->Ferric chloride-->Iron chloride hexahydrate-->Benzotrifluoride-->[1S-(1alpha,3beta,5beta,7alpha)]-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane-->(+)-2-CARENE-->(S)-1-PHENYL-BUT-3-EN-1-OL-->Methyllithium |
| Preparation Products | p-Cymene |
