Molecular & Flavor Profile
Common name:	Beta-Pinene
IUPAC name:	6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
SMILES:	CC1(C2CCC(=C)C1C2)C
CAS:	127-91-3, 25719-60-2, 127-91-3, 18172-67-3
Flavor Profile:	resinous, resin, turpentine, green, hay, woody, pine, dry
FEMA Flavor Profile:	Pine , Polish , Wood
FEMA Number:	2903
Taste:	piney, turpentine-like taste
Odor:	characteristic turpentine odor dry, woody or resinous aroma piney, turpentine-like odor terpene odor
Functional Groups:	alkene

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Common name: Beta-Pinene
IUPAC name: 6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
CAS numbers: 127-91-3, 25719-60-2, 127-91-3, 18172-67-3
SMILES: CC1(C2CCC(=C)C1C2)C
InChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
FlavorDB/FEMA name: β-PINENE
Synonyms: 6,6-Dimethyl-2-methylene. norpinane; Nopinene; Bicyclo(3 1 1)heptane, 6,6-dimethyl-2-methylene-; 6,6-Dimethyl-2-methylenebicyclo(3 1 1)heptane; 6,6-Dimethyl-2-methylene-bicyclo(3 1 1)heptane; Pinene; Pinene,. beta; Pin-2(10)-ene; beta-Pinene; 2(10)-Pinene; Pseudopinen; Pseudopinene; Terbenthene; 2,2,6-Trimethylbicyclo(3 1 1)hept-2-ene
FL number: 1.003
NAS number: 2903
CoE number: 2114
EINECS number: 204-872-5
JECFA number: 1330

Flavor profile: resinous, resin, turpentine, green, hay, woody, pine, dry
FooDB flavor profile: resinous, resin, turpentine, green, hay, woody, pine, dry
FEMA flavor profile: Pine, Polish, Wood
Odor: characteristic turpentine odor
dry, woody or resinous aroma
piney, turpentine-like odor
terpene odor
Taste: piney, turpentine-like taste
Functional groups: alkene
Bitter compound: No
Source description: β-Pinene has a characteristic turpentine odor with a dry, woody or resinous aroma

CoE status: 600 ppm
FDA status: 21 CFR 172.515, 172.615
JECFA status: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (2004)

Aroma threshold values: 140 ppb. Aroma characteristics at 10%; cooling, woody, piney and turpentine-like with a fresh minty, eucalyptus and camphoraceous note with a spicy peppery and nutmeg nuance
Taste threshold values: Taste characteristics at 15 to 100 ppm; fresh, piney and woody, terpy and resinous with a slight minty, spicy and camphoraceous nuance

Occurrence summary: Naturally occurring; Reported in 111 FlavorDB source entities
Source entity count: 111
Representative sources: Gin, Rum, Bourbon Whisky, Oats, Rice, Corn, Cheddar Cheese, Swiss Cheese, Milk Fat, Buchu
Documented natural occurrence: Usually occurring together with α-pinene but in smaller amounts; the d- and l-forms are reported found in the essential oils of various Artemisae and several Cupressaceae, in coriander and cumin; the l-form is a constituent of several citrus oils. β-Pinene is reported found in over 190 natural products including apple, apricot, many citrus juices and peel oils, bilberry, cran-berry, lingonberry, blackberry, currants, guava, raspberry, strawberry, basil, carrot, celery, cooked potato, bell pepper, tomato, anise seed oil, cinnamon, cassia leaf, clove, cumin, ginger, Mentha oils, nutmeg, mace, pepper, parsley, thyme, Swiss and cheddar cheese, cream, fatty fish, fried chicken, beef fat, hop oil, rum, bourbon whiskey, tea, roasted filberts, pecans, oats, soybean, plum, mushroom, sweet and wild marjoram, starfruit, mango, tamarind, cardamom, coriander, gin, rice, litchi, calamus, dill, lovage, caraway seed, buckwheat, laurel, fennel, kiwifruit, myrtle leaf and berry, rosemary, buchu oil, Bourbon vanilla, Spanish and clary sage, nectarine, crayfish, clam, cape gooseberry, anise hyssop, angelica root oil, Roman and German chamomile oil, eucalyptus oil, bullock’s heart and mastic gum leaf and fruit oil

ADMET Solubility: -3.715
ADMET Solubility Level: 3.0
ADMET BBB: 0.75
ADMET BBB Level: 0.0
ADMET EXT Hepatotoxic: -5.87681
ADMET EXT Hepatotoxic prediction md: False
ADMET EXT Hepatotoxic applicability: All properties and OPS components are within expected ranges.
ADMET EXT Hepatotoxic applicability md: 8.67858
ADMET EXT Hepatotoxic applicability mdpvalue: 0.619838
ADMET Absorption Level: 0.0
ADMET EXT PPB: -1.6105399999999999
ADMET EXT PPB prediction: True
ADMET EXT PPB applicability: All properties and OPS components are within expected ranges.
ADMET EXT PPB applicability md: 8.38808
ADMET EXT PPB applicability mdpvalue: 0.9998549999999999
ADMET unknown AlogP98: 0.0
ADMET AlogP98: 2.926
ADMET PSA 2D: 0.0

Specifications: (JECFA, 2008); Acid value (max); <1.0; Refractive index; 1.476–1.482 (20°C); Appearance; Colorless mobile liquid; Solubility; Soluble in oils; insoluble in water ans ; ethanol; Assay (min); 97% C10H16; Specific gravity; 0.867–0.871 (25°C); Boiling point; 163–166°C

Food category usual/max:

Synthesis: Isolated from American turpentine; also by conversion from α-pinene; as an intermediate extremely important for the manufacture of citral, citronellol, hydroxycitronellal, geraniol, citronellal, linalool, ionones, methylionones and menthol

Details of "Molecular & Flavor Profile" and physicochemical properties were obtained from PubChem Substance & Compound Databases, FooDB, Flavornet, SuperSweet, and BitterDB. 2D/3D and ADMET properties were obtained with Discovery Studio.