(-)-alpha-Pinene

HCID 440968

Notes Reactions

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

CAS: 2437-95-8
Standard SMILES: CC1=CC[C@H]2C[C@@H]1C2(C)C
InChIKey: GRWFGVWFFZKLTI-IUCAKERBSA-N
Molecular formula: C10H16
Average molar mass: 136.23 g/mol
Monoisotopic mass: 136.12520051

Overview

(-)-alpha-pinene is an alpha-pinene. It is an enantiomer of a (+)-alpha-pinene.

Names & identifiers

Preferred name: (-)-alpha-Pinene
IUPAC: (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

Names & synonyms

(-)-alpha-Pinene7785-26-4(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene(-)-2-PineneDTXSID2029290TZR3GM95PRDTXCID009290CHEBI:28660FEMA NO. 2902, (-)-(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene(1S,5S)-2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene(1S)-2,6,6-trimethylbicyclo(3.1.1)hept-2-ene

Show more names

RefChem:1049077I+--Pinene, (-)-232-077-3(-)-|A-pinenealpha-Pinene, (-)-MFCD00064145(1S)-(-)-|A-PineneDL-ALPHA-PINENE

Database identifiers

CAS: 2437-95-8、7785-26-4、80-56-8
PubChem CID: 440968
DTXSID: DTXSID2029290
ChEMBL: CHEMBL3109297
ChEBI: CHEBI:28660
UNII: JPF3YI7O34、TZR3GM95PR
EC Number: 219-445-9、232-077-3
Nikkaji: J95.400D

Properties

Computed structural propertiesFilling in

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 186

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Terpenes

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

LogP4.48

Boiling Point155.00 to 157.00 °C. @ 760.00 mm Hg

Melting Point-62 °C

Physical Description · 3 items

Liquid

Liquid with an odor of turpentine; [Merck Index] Colorless liquid; [Acros Organics MSDS]

Liquid

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 5.1% (37 of 725) of reports.

Danger

H226 (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.

Warning

Hazard information

Regulatory Information · 4 items

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/14528

2-Pinene, (1S,5S)-(-)-: 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 SummaryMay cause irritation; Inhalation may cause dizziness or suffocation; [Acros Organics MSDS] See alpha-Pinene.

Hazard Classes and Categories · 3 items

Flam. Liq. 3 (94.9%)

Skin Irrit. 2 (100%)

Acute toxicity (ingestion) - category 4