DL-Pin-2(3)-en

α-Pinene · BETA-PINENE · A-PINENE · FEMA 2902 · ALFA-PINENE · PINENE, ALPHA · CYCLIC DEXADIENE · BICYCLO [3.1.1] HEPT-2-ENE, 2,6,6-TRIMETHYL

https://huagongshe.com/de/chemical/440968

Identifikatoren & physikalische Daten

CAS No.	2437-95-8
Summenformel	C10H16
Durchschnittliche Molmasse	136,23 g/mol
Monoisotopische Masse	136,12520051 g/mol
SMILES	CC1=CC[C@H]2C[C@@H]1C2(C)C
InChIKey	GRWFGVWFFZKLTI-IUCAKERBSA-N
PubChem CID	440968
ChEMBL	CHEMBL3109297
ChEBI	CHEBI:28660
EC No.	219-445-9
DTXSID	DTXSID2029290
Lokaler Name	DL-Pin-2(3)-en

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	186
Stoffklassen	Biological Agents -> Terpenes
Duftstoffe	Fragrance Ingredient (l-.alpha.-Pinene) -> IFRA transparency List
LogP (Verteilungskoeffizient)	4.48
Siedepunkt	155.00 to 157.00 °C. @ 760.00 mm Hg155-156 °C(lit.)
Schmelzpunkt	-62 °C-55 °C
Physical Description	LiquidLiquid with an odor of turpentine[Merck Index] Colorless liquid[Acros Organics MSDS]
Dichte	0.858 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.465(lit.)
Flammpunkt	90 °F
Dielektrizitätskonstante	2.6(25℃)
InChI	InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/s3
InChIKey	GRWFGVWFFZKLTI-JQEWEITDNA-N
SMILES	[C@@]12([H])C(C)=CC[C@@]([H])(C1)C2(C)C \|&1:0,6,r\|
CAS Datenbank	2437-95-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 5.1% (37 of 725) of reports.DangerH226 (94.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P321, P330, 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 725 reports by companies from 31 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S,5S)- 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-, (1S,5S)- 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: 12-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/145282-Pinene, (1S,5S)-(-)-: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - Alpha-pinene: Human health tier II assessment
Gefahrenübersicht	May cause irritationInhalation may cause dizziness or suffocation[Acros Organics MSDS] See alpha-Pinene.
Hazard Classes and Categories	Flam. Liq. 3 (94.9%)Skin Irrit. 2 (100%)Acute toxicity (ingestion) - category 4
Unerwünschte Wirkungen	Neurotoxin - Acute solvent syndrome
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
Wassergefährdungsklasse (WGK)	1
UN-Transportnummer	UN 2368
Zollcode	29021910
RTECS-Nr.	DT7000000
R-Sätze (R)	10-36/37/38-43-50
Gefahrensymbole	Xi,N
Sicherheitshinweise (S)	26-36/37-61
Gefahrenklasse	3
Verpackungsgruppe	III

Anwendungen & Verwendung

Verwenden

β-Pinene is also used in flavor compositions, partly as ingredient in artificial Lemon and Nutmeg oils, partly as component of such type flavors. The concentration in the finished product will be about 15 to 150 ppm. alpha-Pinene has a more balsamic taste, while be~a-Pinene, less suitable for flavors, has a dry-woody character.