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Trimethylhydroquinone

Trimethylhydroquinone structure

CAS No:
700-13-0
Formula:
C9H12O2
Chemical Name:
Trimethylhydroquinone
Synonyms:
1,4-Benzenediol,2,3,5-trimethyl-;Hydroquinone,trimethyl-;2,3,5-Trimethyl-1,4-benzenediol;ψ-Cumohydroquinone;Pseudocumohydroquinone;Trimethyl-p-hydroquinone;2,3,5-Trimethylhydroquinone;1,4-Dihydroxy-2,3,5-trimethylbenzene;Trimethylhydroquinone;2,3,5-Trimethyl-1,4-hydroquinone;2,3,5-Trimethyl-p-hydroquinone;NSC 401617
Categories:
Chemical Reagents > Organic Reagents

Description

It is crystalline solid. When heated, it can sublimate, when esposed to moisture, it can turn black easily. It can be slightly soluble in water, soluble in ethyl alcohol, insoluble in petroleum ether. Melting point is 173℃. off-white, tan or orange powder

2,3,5-trimethylhydroquinone is a member of the class of hydroquinones that is hydroquinone substituted by methyl groups at positions 2, 3 and 5. It is a member of hydroquinones and a methylbenzene.

Trimethylhydroquinone Basic Attributes

Molecular Weight：

152.193

Exact Mass：

152.19

EC Number：

211-838-3

UNII：

GSY6340N4A

NSC Number：

401617

DSSTox ID：

DTXSID7052446

HScode：

2907299090

Characteristics

PSA：

40.5

XLogP3：

2.03

Appearance：

white to yellow crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

170-171 °C

Boiling Point：

298.3±35.0 °C at 760 mmHg

Flash Point：

146.3±20.5 °C

Refractive Index：

1.573

Water Solubility：

H2O: 2 g/L (20 ºC)

Storage Conditions：

Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Safety Information

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

R20;R37/38;R41;R43;R50/53

safety instructions：

S24-S26-S37/39-S60-S61

RTECS Number：

MX7820000

Marks：

Xn:Harmful

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P273-P280-P305 + P351 + P338-P501

Hazard Statements：

H315-H317-H318-H332-H335-H410

GHS Classification：

|Danger|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P273, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P391, P403+P233, P405, and P501|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|Aggregated GHS information provided by 152 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P314, P321, P363, P405, and P501

Drug Information

MeSH Entry Terms：

2,3,5-trimethylquinol

Trimethylhydroquinone Use and Manufacturing

Uses

The product is main ring of vitamin E, it can condensation with isophytol to get vitamin E.
Organic intermediates, pharmaceutical intermediates, it can be used for the synthesis of VE.

Manufacturing Info：

1,4-Benzenediol, 2,3,5-trimethyl-: ACTIVE

Computed Properties

Molecular Weight:152.19
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:152.083729621
Monoisotopic Mass:152.083729621
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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