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80-26-2

Basic Information
CAS No.: 80-26-2
Name: Terpinyl acetate
Molecular Structure:
Molecular Structure of 80-26-2 (Terpinyl acetate)
Formula: C12H20O2
Molecular Weight: 196.29
Synonyms: 3-Cyclohexene-1-methanol,a,a,4-trimethyl-, acetate (9CI);p-Menth-1-en-8-ol, acetate (8CI);2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate;a-Terpineol acetate;a-Terpinyl acetate;3-Cyclohexene-1-methanol,a,a,4-trimethyl-, 1-acetate;
EINECS: 201-265-7
Density: 0.962 g/cm3
Melting Point: 112-113.5 °C
Boiling Point: 239.872 °C at 760 mmHg
Flash Point: 82.974 °C
Solubility:
Appearance: clear liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/38
Safety: 26-36
Transport Information:
PSA: 26.30000
LogP: 3.07450
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  • (+)-alpha-Terpinyl acetate

  • Casno:

    80-26-2

    (+)-alpha-Terpinyl acetate

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  • Terpinyl Acetate 95% (GC)

  • Casno:

    80-26-2

    Terpinyl Acetate 95% (GC)

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    Shanghai AngewChemCo., Ltd. is an innovative enterprise on fine chemicals and pharmaceuticals. Based on Shanghai R&D center and Hunan chemical manufacturing plant, we offer chemical research, process development, and large-scale production. Complete

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  • ALPHA-TERPINYL ACETATE manufacturer

  • Casno:

    80-26-2

    ALPHA-TERPINYL ACETATE manufacturer

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  • Terpinyl acetate 98%

  • Casno:

    80-26-2

    Terpinyl acetate 98%

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  • Terpinyl acetate

  • Casno:

    80-26-2

    Terpinyl acetate

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

1. Introduction of Terpinyl acetate
Terpinyl acetate, with cas registry number of 80-26-2, has other registry numbers including 104806-93-1, 10581-37-0, 21090-64-2. Its IUPAC name is called 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate . And its systematic name is also called 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate . The superlist names about this chemical are Terpinyl acetate ; alpha-Terpineol acetate ; p-Menth-1-en-8-ol, acetate.

2. Properties of Terpinyl acetate
(1) ACD/LogP: 3.67 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3.67 ; (4) ACD/LogD (pH 7.4): 3.67 ; (5) ACD/BCF (pH 5.5): 362.71 ; (6) ACD/BCF (pH 7.4): 362.71 ; (7) ACD/KOC (pH 5.5): 2364.5 ; (8) ACD/KOC (pH 7.4): 2364.5 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 3 ; (12) Index of Refraction: 1.466 ; (13) Molar Refractivity: 56.58 cm3 ; (14) Molar Volume: 203.9 cm3 ; (15) Surface Tension: 31.8 dyne/cm ; (16) Density: 0.962 g/cm3 ; (17) Flash Point: 83 °C ; (18) Enthalpy of Vaporization: 47.68 kJ/mol ; (19) Boiling Point: 239.9 °C at 760 mmHg ; (20) Vapour Pressure: 0.0392 mmHg at 25°C ; (21) Refractive index: n20/D 1.465(lit.).

3. Structure Descriptors of Terpinyl acetate
(1) SMILES:O=C(OC(C)(C)C1C/C=C(\CC1)C)C;
(2) InChI:InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3;
(3) InChIKey:IGODOXYLBBXFDW-UHFFFAOYAB

4. Toxicity of Terpinyl acetate

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation > 1gm/m3 (1000mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 27, 1993.
mouse LD50 oral 4800mg/kg (4800mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 27, 1993.
rat LD50 oral 5075mg/kg (5075mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

5. Safety Information of Terpinyl acetate
Hazard Symbols:IrritantXi
Risk Codes:
R36/38:Irritating to eyes and skin.
Safety Description:
R26:Very toxic by inhalation. 
R36:Irritating to eyes. 
 
6. Use of of Terpinyl acetate
Terpinyl acetate is a synthetic perfume used for essence of lavender,bergamot and Orange. It is also used for indoor aromatizer and deodorizer and used as substitute of linalyl acetate.

7. Other details of Terpinyl acetate
When you are using Terpinyl acetate, please be cautious about it as the following:
The Terpinyl acetate is mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. It is irritating to eyes and skin. So, when use it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.