Pinane
Also known as 2,6,6-Trimethylbicyclo[3.1.1]heptane, Dihydropinene, Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-
Key facts
What buyers check first
- Appearance
- Oil
- Melting point
- -53 °C
- Boiling point
- 169 °C
- Density
- 0.8467
- Flash point
- 40 °C
- HS code
- 290219
- Category
- Synthetic aroma chemicals
- UN number
- UN 3295

What is Pinane?
Plain description, key identifiers and synonyms
Pinane is a monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6. It has a role as a plant metabolite. It is a monoterpene, a terpenoid fundamental parent and a carbobicyclic compound.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2,6,6-trimethylbicyclo[3.1.1]heptane
- CAS number
- 473-55-2 CAS number cross-checked
- EC number
- 207-467-1
- Molecular formula
- C10H18
- UNII
- 140V20YT81
- MDL number
- MFCD00078047
- INCI name
- DIDEHYDROPINANE, TRIMETHYLBICYCLOHEPTANE
- InChIKey
- XOKSLPVRUOBDEW-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
- SMILES (canonical and isomeric)
- CC1CCC2CC1C2(C)C
Synonyms
- 2,6,6-Trimethylbicyclo[3.1.1]heptane
- Dihydropinene
- Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-
- Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-
- 2,6,6-Trimethylbicyclo(3.1.1)heptane
- 2,6,6-trimethylbicyclo(3.1.1)heptane, pinane
- Pinane, endo + exo
- cis-Pinane
- 2,6,6-trimethylnorpinane
- Pinane skeleton
- 1a,2b,5a-2,6,6-Trimethylbicyclo(3.1.1)heptane
- Pinane, didehydro derivative
- 2,6-Trimethylbicyclo[3.1.1]heptane
- Bicyclo[3.1.1]heptane,6,6-trimethyl-
- 2,6,6-Trimethylbicyclo[3.1.1]heptane #
- Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, didehydro deriv.
- Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1R-(1alpha,2beta,5alpha)]-
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Oilexp.Measured value |
|---|---|
| Melting point | -53 °Cexp.Measured value |
| Boiling point | 169 °Cexp.Measured value |
| Density | 0.8467exp.Measured value |
| Flash point | 40 °Cexp.Measured value |
| Autoignition temperature | 273 °Cexp.Measured value |
| Solubility | Less than 1 mg/mL at 68 °Fexp.Measured value |
| Vapour pressure | 2 mmHg at 68 °F approximatelyexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 138.25 g/molcalc.Computed value |
|---|---|
| Exact mass | 138.1409 Dacalc.Computed value |
| LogP (octanol/water) | 3.08calc.Computed value |
| Topological polar surface area | 0 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 0calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 10calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 1calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 3calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
C1CC2CC(C1)C2
3 rings, 7 atoms, the Bicyclo(3.1.1)heptane ring system.
619 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H226Flammable liquid and vapour.
- H304May be fatal if swallowed and enters airways.
- H411Toxic to aquatic life with long lasting effects.
Precautionary statements (16)
- P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
- P233Keep container tightly closed.
- P240Ground and bond container and receiving equipment.
- P241Use explosion-proof electrical, ventilating and lighting equipment.
- P242Use non-sparking tools.
- P243Take action to prevent static discharges.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
- P331Do not induce vomiting.
- P370 + P378In case of fire: Use appropriate media to extinguish.
- P391Collect spillage.
- P403 + P235Store in a well-ventilated place. Keep cool.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 3295
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidPinane suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United States, Teterboro ManufacturerUnclaimed profilePinaneGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profilePinaneGrade, purity and minimum order on requestPrice on request
- China, Guangdong ManufacturerUnclaimed profilePinaneGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profilePinaneGrade, purity and minimum order on requestPrice on request
- United States, Brunswick ManufacturerUnclaimed profilePinaneGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
7 suppliers in 3 countries
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Pinane price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Pinane is used in industry for the production of pinane hydroperoxide. It is also important as an intermediate in the production of 3,7-dimethylocta-1,6-diene, which is used to produce perfumes, such as citronellol, citronellal and hydroxycitronellal.
An important starting material in the industrial processes used in the fragrance and flavor industry.
Use as a polymerization accelerator for rubber.
Chemical intermediate for 3,7-dimethyl-1,6-octadiene, a perfumery int.
Industrial uses: Intermediates.
Industries and functions
Cosmetic ingredient, INCI name DIDEHYDROPINANE(perfuming)
Roles
- eukaryotic metabolite
- metabolite
- plant metabolite
Functional uses
- Defoamer
- Deodorizer
- Fragrance
Cosmetic functions
- Perfuming
How it is made
Hydrogenation of alpha-pinene, beta-pinene or an isomeric mixture
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Pinane is traded under.
Cyclanes, cyclenes and cycloterpenes, other
- China23.4%
- United States20.6%
- Germany13.6%
- India * partner reported9.9%
- United States9.8%
- South Korea9.5%
* Partner reported figures, a lower bound.
The HS code shown for Pinane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Pinane, based on the data on this page
What is Pinane?
What is the CAS number of Pinane?
What is the molecular formula and weight of Pinane?
What is Pinane used for?
Is Pinane hazardous?
What is the HS code of Pinane?
Where can I buy Pinane?
Where can I buy Pinane in India?
What is the price of Pinane?
Guides for buyers
Practical guides that help when you source, ship or handle Pinane
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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