CAS 7785-70-8 alpha-Pinene, (+)- (HCID 82227)

Überblick

(+)-alpha-pinene is the (+)-enantiomer of alpha-pinene. It has a role as a plant metabolite and a human metabolite. It is an enantiomer of a (-)-alpha-pinene.

Namen und Bezeichner

Bevorzugter Name: alpha-Pinene, (+)-
IUPAC: (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
Lokaler Name: (+)-Pin-2(3)-en
Englischer Name: (1R)-(+)-alpha-Pinene
Summenformel: C10H16
Molmasse: 136.23

Namen und Synonyme

(+)-alpha-Pinene7785-70-8(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene(1R)-(+)-alpha-Pinene(+)-2-Pinenealpha-Pinene, (+)-d-.alpha.-Pinenealpha-Pinene(dextro)(1R)-alpha-Pinene(+)-Pin-2(3)-ene(+)-.alpha.-PineneDTXSID7041671

Weitere Namen anzeigen

(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene(+)-α-PineneFEMA 2902(1R)-(+)-α-pinene(+)-a-pineneα-Pinene dextro(1R,5R)-2-6,6-TRIMETHYL-BICYCLO[3.1.1]HEPT-2-ENE(1R)-(+)-a-pineneAlpha Pinene Dextro2,6,6-trimethyl-,(1R)-Bicyclo[3.1.1]hept-2-ene

H6CM4TWH1W(1R,5R)-pin-2-eneBicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-CCRIS 9059EINECS 232-087-8.ALPHA.-PINENE, D-(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE.ALPHA.-PINENE-(+)

Datenbank-Bezeichner

CAS: 7785-70-8
PubChem CID: 82227
DTXSID: DTXSID7041671
ChEMBL: CHEMBL1236329
ChEBI: CHEBI:28261
UNII: H6CM4TWH1W
EC Number: 232-087-8
Nikkaji: J95.399G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 186

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Terpenes

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]

FragrancesFragrance Ingredient (d-.alpha.-Pinene) -> IFRA transparency List

LogP4.44

Density0.855-0.860

Solubility · 2 Einträge

Insoluble in water; soluble in oils

Soluble (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt: 62 °C · −62 °C(lit.)
Siedepunkt: 155 · 155-156 °C(lit.)
Dichte: 0.858 g/mL · 0.858 g/mL at 20 °C(lit.)
Dampfdruck: 5 hPa · 5 hPa (25 °C)
FEMA: 2902 · 2902 | ALPHA-PINENE
Brechungsindex: 20 · n20/D 1.465(lit.)
Flammpunkt: 91 °F · 91 °F
storage temp.: 2 °C · Store at +2°C to +8°C.
Aggregatzustand: Liquid
Farbe: Clear colorless
Geruch (Odor): 10 % · at 10.00 % in dipropylene glycol. harsh terpene aromatic minty
Geruchsart: herbal
Explosionsgrenze: 0.8 · 0.8-6%(V)
Biologische Quelle: synthetic
Wasserlöslichkeit: Soluble in Ether, Alcohols, Chloroform. Not miscible in water.
Merck: 14 · 14,7445
JECFA Number: 1329 · 1329
BRN: 3648264 · 3648264
Dielectric constant: 2.7 · 2.7(20℃)
Major Application: flavors and fragrances
InChI: 1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
InChIKey: GRWFGVWFFZKLTI-UHFFFAOYSA-N
SMILES: CC1=CC[C@@H]2C[C@H]1C2(C)C
LogP: 4.44 · 4.44-4.46 at 20-37℃
CAS Datenbank: 7785 · 7785-70-8(CAS DataBase Reference)
EPA chemische Informationen: 3.1 · Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- (7785-70-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.3% (5 of 1465) of reports.

Danger

H226 (99.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1465 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/9984

(1R)-(+)-a-pinene: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Alpha-pinene: Human health tier II assessment

Hazards SummaryA skin and strong eye irritant; May cause allergic reactions in sensitive individuals, based on QSAR modeling; [Sigma-Aldrich MSDS] See alpha-Pinene.

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 3 (99.7%)

Acute toxicity (ingestion) - category 4

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

F: 10
wgk: 3
tsca: TSCA listed
ridadr: UN 2368 3/PG 3
hs_code: 2902 19 00
RTECS-Nr.: DT7000000
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36-16-23
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
Selbstentzündungstemperatur: 491 °F

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

U.S. Production2023: 10,000,000 - <50,000,000 lb

Industry UsesIntermediates

Household ProductsInformation on 2 consumer products that contain D-Alpha-Pinene in the following categories is provided:

Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-: ACTIVE

Anwendungen

Verwenden(1R)-(+)-α-Pinene is used in hydroboration reactions and the reduction of ketones.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Bicyclo[3.1.1]hept-2-ene, 6,6-dimethyl-4-methylene-, (1S,5S)-Borane, dichloro[(1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-(S)-1-Phenyl-but-3-en-1-ol 2-Cyclohexene-1-methanol, α-methyl-, (αR,1R)-[1R-(1α,2β,5α)]-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-on [(1R,2S,3R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-3-yl]borane (-)-Diisopinocampheyl borane

Nachgelagerte Produkte

(1S,2S,3R,5S)-(+)-2,3-Pinanediol 2,6-Dimethylocta-2,4,6-trien p-Cymol [1R-(1α,2β,5α)]-2,6,6-Trimethylbicyclo[3.1.1]heptan cis-4-Hydroxy-α,α,4-trimethylcyclohexanmethanol (-)-Isopinocampheylamine (1S,2S,5S)-(-)-2-Hydroxy-3-pinanone

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: The (+)-enantiomer of alpha-pinene.

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