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Grundinformationen
- CAS
127-91-3- Standard-SMILES
C=C1CC[C@H]2C[C@@H]1C2(C)C- InChIKey
WTARULDDTDQWMU-IUCAKERBSA-N- Summenformel
- C10H16
- Durchschnittliche Molmasse
- 136,238 g/mol
- Monoisotopische Masse
- 136,12520051
Namen und Bezeichner
- Bevorzugter Name
- (-)-beta-Pinene
- IUPAC
- (1S,5S)-6,6-Dimethyl-2-methylidenebicyclo[3.1.1]heptane
- Lokaler Name
- (-)-pin-2(10)-en
- Englischer Name
- (1S)-(1)-beta-Pinene
- Summenformel
- C10H16
- Molmasse
- 136.23
Namen und Synonyme
(-)-β-pinene(-)-beta-Pinene(1S,5S)-6,6-DIMETHYL-2-METHYLENEBICYCLO[3.1.1]HEPTANEFEMA 2903PINENE BETA(?)-β-Pinene(1S)-(-)-BETA-PINENEβ-Pinen(S)-beta-Pinene(1S)-(-)-B-PINENE
Datenbank-Bezeichner
- CAS
127-91-3、18172-67-3- PubChem CID
- 440967
- DTXSID
DTXSID1041184- ChEMBL
CHEMBL3184774- ChEBI
CHEBI:28359- UNII
- 4MS8VHZ1HJ、AFN153A7SU
- EC Number
- 242-060-2
- Nikkaji
- J108.666I
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 61 °C · −61 °C(lit.)
- Siedepunkt
- 165 · 165-167 °C(lit.)
- Dichte
- 0.866 g/mL · 0.866 g/mL at 25 °C
- Dampfdichte
- 4.7 · 4.7 (vs air)
- Dampfdruck
- 2 mm · ~2 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.478
- FEMA
- 2903 · 2903 | BETA-PINENE
- Flammpunkt
- 91 °F · 91 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 95 % · 95% ethanol: soluble1ml/3ml, clear, colorless
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to pale yellow
- Geruch (Odor)
- 10 % · at 10.00 % in dipropylene glycol. dry woody fresh pine hay green resinous
- Geruchsart
- herbal
- Odor Threshold
- 0.033 ppm · 0.033ppm
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- insoluble
- Merck
- 14 · 14,7446
- BRN
- 2038282 · 2038282
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- InChI
- 1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
- InChIKey
- WTARULDDTDQWMU-IUCAKERBSA-N
- SMILES
- [H][C@]12CCC(=C)[C@]([H])(C1)C2(C)C
- LogP
- 4.4 at · 4.4 at 25℃
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2319 3/PG 3
- hs_code
- 29021910
- RTECS-Nr.
- DT5077000
- risk_code
- 10-20/21/22-36/37/38-43-51-65-51/53-50
- hazard_code
- Xn,N,Xi
- safety_code
- 16-26-36/37-46-61-62
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 3Skin Irrit. 2Skin Sens. 1
Chemie und Industrie
Anwendungen
Beschreibung(–)-β-Pinene is a bicyclic monoterpene that has been found in various plants, including C. sativa, with diverse biological activities. It is lethal to S. littoralis third instar larvae (LD50 = 65 μg/larva). (–)-β-Pinene inhibits infectious bronchitis virus (IBV) replication (IC50 = 1.32 mM) and exhibits a cytotoxic concentration (CC50) value of greater than 10 mM in Vero cells. In vivo, (–)-β-pinene (100 mg/kg) decreases immobility time in the forced swim test in mice, an effect that can be reversed by the serotonin (5-HT) receptor subtype 5-HT1A antagonist WAY-100635 .
VerwendenIt is a useful biochemical for proteomics research. It is also employed in the preparation of natural products, such as grandisol and robustadial. It is also applied as perfuming agent in cosmetics industry.
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