ChemicalBook--->CAS DataBase List--->127-91-3

127-91-3

127-91-3 Structure

127-91-3 Structure
IdentificationMore
[Name]

beta-Pinene
[CAS]

127-91-3
[Synonyms]

BETA-PINENE
BICYCLO [3.1.1] HEPTANE, 6,6-DIMETHYL-2-METHYLENE
B-PINENE
PINENE BETA
PINENE BETA R AND S
ROSEMAREL
2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene
6,6-dimethyl-2-methylene-bicyclo(3.1.1)heptan
6,6-dimethyl-2-methylene-bicyclo[3.1.1]heptan
6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane (beta-pinene)
beta-l-Pinene
l-beta-Pinene
Nopinen
Nopinene
Pseudopinen
Pseudopinene
terbenthene
Terebenthene
SS-PINENE
beta-Pinen
[EINECS(EC#)]

204-872-5
[Molecular Formula]

C10H16
[MDL Number]

MFCD00063635
[Molecular Weight]

136.23
[MOL File]

127-91-3.mol
Chemical PropertiesBack Directory
[Appearance]

liquid
[Melting point ]

-61°C
[Boiling point ]

167°C
[density ]

0.859
[FEMA ]

2903
[refractive index ]

1.4782
[Fp ]

43°C
[storage temp. ]

2-8°C
[Odor]

at 10.00 % in dipropylene glycol. dry woody resinous pine hay green eucalyptus camphoreous
[Stability:]

Stable. Flammable. Incompatible with strong oxidizing agents.
[Odor Type]

herbal
[Water Solubility ]

12mg/L(25 ºC)
[JECFA Number]

1330
[Merck ]

7446
[Henry's Law Constant]

2.1×10-4 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
[Exposure limits]

TLV-TWA: 20 ppm (112 mg/m3)
[Major Application]

food and beverages
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
[Contact allergens]

Beta-pinene is a component of turpentine. Concentrations vary with the source and seem higher in European (Portuguese) than in Asian (Indonesian) turpentine.
[InChIKey]

WTARULDDTDQWMU-UHFFFAOYSA-N
[SMILES]

[C@@H]21C(C(C2)C(=C)CC1)(C)C
[LogP]

4.37
[CAS DataBase Reference]

127-91-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Beta-pinene(127-91-3)
[EPA Substance Registry System]

127-91-3(EPA Substance)
Hazard InformationBack Directory
[Chemical Properties]

liquid
[Definition]

ChEBI: An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants.
[Description]

Beta-pinene is a component of turpentine. Concentrations vary depending on the source and seem to be high er in European (Portuguese) than in Asian (Indonesian) turpentines.
[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, cranberry, 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.
[Uses]

beta-Pinene is an important raw material for the artificial synthesis of various fragrances, camphor, borneol, vitamins A, E, and K, terpene resins, etc. GB 2760-1996 stipulates that it is a permitted fragrance, mainly used to formulate citrus flavorings such as nutmeg and lemon.
[Preparation]

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.
[Aroma threshold values]

Detection: 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.
[Toxics Screening Level]

It is recommended that the Initial Threshold Screening Level (ITSL) for turpentine, along with select monoterpenes (α-pinene, β-pinene, and △3-carene) be set at 1120 μg/m3 based on an 8-hour averaging time.
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS07,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H226-H304-H315-H317-H410
[Precautionary statements ]

P210-P273-P280-P301+P310+P331-P302+P352
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

2368
[WGK Germany ]

WGK 3
[RTECS ]

DT5077000
[TSCA ]

TSCA listed
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 3
Skin Irrit. 2
Skin Sens. 1
[Safety Profile]

Mddly toxic by ingestion. A skin irritant. Flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

127-91-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Turpentine oil-->alpha-Pinene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2(10)-Pinene(127-91-3).msds
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

127-91-3(sigmaaldrich)
[TCI AMERICA]

(-)-beta-Pinene,>94.0%(GC)(127-91-3)
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