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2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione

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Origem: China

Cas No: 490-91-5

Especificação: 99%Min

Quantidade de ordem min: 1 /kg

Capacidade de fornecimento: 50 mt/month

Tempo de espera: 7 dias para OEM, 3 dias para produtos prontos

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Descrição do produto

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CAS No.: 490-91-5 Formula: C10H12O2 Molecular Weight: 164.20100

Description

Thymoquinone is a phytochemical compound found in the plant Nigella sativa. It is also found in select cultivated Monarda fistulosa plants grown and steam distilled in the USA producing an essential oil.

Basic Info

Chemical Name	2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
Synonyms	5-Isopropyl-2-methyl-1,4-benzoquinone; Thymoquinone; 2-methyl-5-isopropyl-1,4-benzoquinone; 2-Isopropyl-5-methylbenzoquinone; p-Cymene-2,5-dione; 2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione; 2-Isopropyl-5-methyl-1,4-benzoquinone; Thymoquinon; 2-isopropyl-5-methyl-p-benzoquinone; p-Mentha-3,6-diene-2,5-dione; 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-; 2-Isopropyl-5-methylbenzo-1,4-quinone; 2-isopropyl-5-methyl-para-benzoquinone;
CAS No.	490-91-5
Molecular Formula	C10H12O2
Molecular Weight	164.20100
PSA	34.14000
LogP	1.66690

Properties

Appearance & Physical State	orange to brown crystals
Density	1.065 g/cm3
Boiling Point	232ºC at 760 mmHg
Melting Point	45-47ºC(lit.)
Flash Point	103.9ºC
Refractive Index	1.504
Vapor Pressure	0.0603mmHg at 25°C

Safety Info

RTECS	GU5330000
Safety Statements	S26; S36
HS Code	2914690090
WGK Germany	3
Risk Statements	R22
Hazard Codes	Xn

Synthesis Route

carvacrol→2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
thymol→2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
thymol→2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione+3-hydroxy-5-isopropyl-2-methyl-[1,4]benzoquinone

GC Analysis

Column type	Active phase	Temperature (°C)	Retention Index (I)	Temperature Control Method
Capillary	HP-5MS	-	1260.	temperature ramp
Capillary	RTX-1	-	1216.	temperature ramp
Capillary	HP-5MS	-	1252.	temperature ramp
Capillary	DB-1	-	1251.	temperature ramp
Capillary	DB-5	-	1249.	temperature ramp

Toxicity

Exposure Route	Type of Test	Species Observed	Dose/Duration	Toxic Effects
Intraperitoneal	LD50 - Lethal dose, 50 percent kill	Rodent - rat	10 mg/kg	1.Details of toxic effects not reported other than lethal dose value
-	Mutation in microorganisms	-	20 nmol/plate	-

Precursor

carvacrol
thymol
2-methyl-5-propan-2-ylbenzene-1,4-diol
2-isopropyl-5-methyl-p-phenylenediamine

Downstream Product

(4E)-4-(Hydroxyimino)-2-isopropyl-5-methyl-2,5-cyclohexadien-1-on e
3-bromo-2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
thymol
2-Isopropyl-5-methyl-1,4-benzochinon-4-(sulfamidophenyl)imin

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