Description

α-Terpinene (CAS 99-86-5) is a monoterpene with the molecular formula C₁₀H₁₆ and IUPAC name 1-methyl-4-propan-2-ylcyclohexa-1,3-diene. This colorless to pale yellow liquid is a naturally occurring component of essential oils, such as tea tree, marjoram, and cardamom oils. With a distinctive herbal aroma, α-Terpinene is widely used in fragrance formulation, flavoring, and as an intermediate in organic synthesis. Its high purity (>95%) makes it ideal for research, pharmaceutical, and industrial applications. Store in a cool, dry place away from light and oxidizing agents to ensure stability.

Properties

• CAS Number: 99-86-5
• Complexity: 170
• IUPAC Name: 1-isopropyl-4-methyl-cyclohexa-1,3-diene
• InChI: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
• InChI Key: YHQGMYUVUMAZJR-UHFFFAOYSA-N
• LogP: 4.25
• Exact Mass: 136.125200510
• Molecular Formula: C10H16
• Molecular Weight: 136.23
• SMILES: CC1=CC=C(CC1)C(C)C
• Monoisotopic Mass: 136.125200510
• Physical Description: Liquid
• Boiling Point: 173.00 to 175.00 °C. @ 760.00 mm Hg
• Melting Point: < 25 °C
• Solubility: Insoluble in water; soluble in most fixed oils
• Density: 0.833-0.838
• Refractive Index: 1.475-1.480
• Synonyms: ALPHA-TERPINENE, 99-86-5, Terpilene, p-Mentha-1,3-diene, 1-Isopropyl-4-methyl-1,3-cyclohexadiene, alpha-Terpinen, 1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene, FEMA No. 3558, 1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene, 1-Methyl-4-isopropylcyclohexadiene-1,3, alphaTerpinene, CCRIS 9058, CHEBI:10334, 1,3-Cyclohexadiene, 1-methyl-4-isopropyl-, EINECS 202-795-1, UNII-I24X278AP1, 1-Methyl-4-isopropyl-1,3-cyclohexadiene, DTXSID9041237, AI3-26467, I24X278AP1, DTXCID7021237, 4-ISOPROPYL-1-METHYL-1,3-CYCLOHEXADIENE, 202-795-1, 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-, 1-isopropyl-4-methylcyclohexa-1,3-diene, .alpha.-Terpinen, 1-methyl-4-propan-2-ylcyclohexa-1,3-diene, a-terpinene, alpha -Terpinene, .alpha.-Terpinene, 1-isopropyl-4-methyl-cyclohexa-1,3-diene, MFCD00001534, a-Terpinene (~90%), -Terpinen, .alpha.-Terpine, ??-Terpinene, .ALPHA.TERPINENE, alpha-Terpinene, 85%, Epitope ID:123897, Alpha-Terpinene (~90%), SCHEMBL44644, ALPHA-TERPINENE [FCC], Alpha-terpinene alpha-terpinene, SCHEMBL1134430, SCHEMBL7032128, CHEMBL2251642, FEMA 3558, MSK1970, HY-W020182R, alpha-Terpinene, analytical standard, Tox21_301126, alpha-Terpinene, >=95.0% (GC), P-MENTHA-1,3-DIENE [FHFI], AKOS015841730, alpha-Terpinene, >=89%, FCC, FG, 1ST1970, HY-W020182, LMPR0102090026, CAS-99-86-5, NCGC00248299-01, NCGC00255025-01, BS-33443, DA-70729, CS-0039183, M0317, NS00013197, a-Terpinene =89%, contains BHT as stabilizer, C09898, E75753, alpha-Terpinene 2000 microg/mL in Acetonitrile, EN300-6738504, Q423851, Z1255364643, InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H, 9MI

Application

α-Terpinene is primarily used as a flavor and fragrance agent due to its fresh, citrusy, and slightly woody aroma. In research, it serves as a precursor in the synthesis of other terpenes and terpenoids. Its antimicrobial and antioxidant properties make it valuable in pharmaceutical and cosmetic formulations. Additionally, it is studied for its potential role in insect repellents and as a natural preservative.

Safety and Hazards

GHS Hazard Statements

• H226: Flammable liquid and vapor [Warning Flammable liquids]
• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]
• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
• H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
• H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P319, P321, P330, P331, P333+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flammable liquids – Category 3
• Acute toxicity – Category 4
• Skin sensitization – Category 1B
• Specific target organ toxicity – Single exposure – Category 3
• Aspiration hazard – Category 1
• Hazardous to the aquatic environment – Category 2
• Hazardous to the aquatic environment – Category 2

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.