CAS No.80-26-2,Terpinyl acetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	80-26-2
Name:	Terpinyl acetate
Article Data:	51

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:	23mg/L at 23℃
Appearance:	clear liquid
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	26-36
PSA:	26.30000
LogP:	3.07450

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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: Irritant

Xi
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.