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β-thujaplicin

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Origin: China

Cas No: 499-44-5

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 80 mt/month

Lead time: 7 days for OEM, 3 days for ready goods

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Products Specification
Product Description

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CAS No.: 499-44-5 Formula: C10H12O2 Molecular Weight: 164.20100

Description

Hinokitiol (β-thujaplicin) is a natural monoterpenoid found in the wood of trees in the family Cupressaceae. It is a tropolone derivative and one of the thujaplicins. Hinokitiol has inhibitory effects on Chlamydia trachomatis and may be clinically useful as a topical drug.
The name originates from the fact it was originally isolated in Taiwanese hinoki in 1936. It is actually almost absent in Japanese hinoki while it is contained in high concentration (about 0.04% of heartwood mass) in Juniperus cedrus, Hiba cedar wood (Thujopsis dolabrata) and Western red cedar (Thuja plicata). It can be readily extracted from the cedarwood with solvent and ultrasonication.

Basic Info

Chemical Name	β-thujaplicin
Synonyms	Isopropyltropolone; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-; β-Thujaplicine; Hinokitol; 2-hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one; 4-ISOPROPYLTROPOLONE; Hinokitiol; 2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one; beta-thujaplicin; 2-hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one; B-THUJAPLICIN;
CAS No.	499-44-5
Molecular Formula	C10H12O2
Molecular Weight	164.20100
PSA	37.30000
LogP	1.87580

Properties

Density	1.127g/cm3
Boiling Point	140ºC (10 mmHg)
Melting Point	50-52ºC
Flash Point	128.1ºC
Refractive Index	1.553
Vapor Pressure	8.98E-05mmHg at 25°C

Safety Info

RTECS	GU4200000
Safety Statements	S36
HS Code	2914400090
WGK Germany	3
Risk Statements	R22
Hazard Codes	Xn

Synthesis Route

2-hydroxy-6-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one→β-thujaplicin
(5S)-6-isopropyl-3-cycloheptene-1,2-dione→β-thujaplicin
6-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one→β-thujaplicin

GC Analysis

Column type	Active phase	Temperature (°C)	Retention Index (I)	Temperature Control Method
Capillary	DB-5	-	1559.	temperature ramp
Capillary	SE-30	-	1559.	temperature ramp

Precursor

(5S)-6-isopropyl-3-cycloheptene-1,2-dione
2-hydroxy-6-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one
6-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one
3-propan-2-ylcycloheptan-1-one

Downstream Product

isobutyric acid
4-propan-2-ylcyclohepta-3,6-diene-1,2,5-trione
β-thujaplicin
cyclopentene

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