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Pentamethylbenzene

Pentamethylbenzene Structure
Pentamethylbenzene structure
CAS No.
700-12-9
Chemical Name:
Pentamethylbenzene
Synonyms
1,2,3,4,5-PENTAMETHYLBENZENE;PentaMethy;PENTAMETHYLBENZENE;Pentamethyl phenyl;Pentmethyl Benzene;pentamethyl-benzen;benzene,pentamethyl-;Pentamethylbenzene>Pentamethylbenzene,99%;Pentamethylbenzene~95%
CBNumber:
CB6854133
Molecular Formula:
C11H16
Molecular Weight:
148.24
MDL Number:
MFCD00008522
MOL File:
700-12-9.mol
MSDS File:
SDS
Last updated:2026-05-28 06:31:37
Product description Number Pack Size Price
Pentamethylbenzene 98% 153613 5g $84
Pentamethylbenzene 98% 153613 100g $327
Pentamethylbenzene >99.0%(GC) P0043 5g $84
Pentamethylbenzene >99.0%(GC) P0043 25g $236
Pentamethylbenzene AAA70012 50g $625
More product size
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Pentamethylbenzene Properties

Melting point 49-51 °C (lit.)
Boiling point 231 °C (lit.)
Density 0.917 g/mL at 25 °C (lit.)
refractive index 1.5270
Flash point 196 °F
storage temp. Sealed in dry,Room Temperature
form powder to crystal
color White to Almost white
Water Solubility 15.52mg/L(temperature not stated)
BRN 1905349
Henry's Law Constant 7.7×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI 1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
InChIKey BEZDDPMMPIDMGJ-UHFFFAOYSA-N
SMILES Cc1cc(C)c(C)c(C)c1C
CAS DataBase Reference 700-12-9(CAS DataBase Reference)
FDA UNII H6JLD3AI98
NIST Chemistry Reference Benzene, pentamethyl-(700-12-9)
EPA Substance Registry System Benzene, pentamethyl- (700-12-9)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Danger
Hazard statements  H228-H315-H319-H335
Precautionary statements  P210-P302+P352-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes  F,Xi
Risk Statements  11-36/37/38
Safety Statements  16-26-36
RIDADR  UN 1325 4.1/PG 2
WGK Germany  3
TSCA  TSCA listed
HazardClass  4.1
PackingGroup  III
HS Code  29029090
Storage Class 4.1B - Flammable solid hazardous materials
Hazard Classifications Eye Irrit. 2
Flam. Sol. 1
Skin Irrit. 2
STOT SE 3
NFPA 704
2
0

Pentamethylbenzene price More Price(38)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 153613 Pentamethylbenzene 98% 700-12-9 5g $84 2026-04-30 Buy
Sigma-Aldrich 153613 Pentamethylbenzene 98% 700-12-9 100g $327 2026-04-30 Buy
TCI Chemical P0043 Pentamethylbenzene >99.0%(GC) 700-12-9 5g $84 2026-04-30 Buy
TCI Chemical P0043 Pentamethylbenzene >99.0%(GC) 700-12-9 25g $236 2026-04-30 Buy
Biosynth AAA70012 Pentamethylbenzene 700-12-9 50g $625 2026-06-04 Buy
Product number Packaging Price Buy
153613 5g $84 Buy
153613 100g $327 Buy
P0043 5g $84 Buy
P0043 25g $236 Buy
AAA70012 50g $625 Buy

Pentamethylbenzene Chemical Properties,Uses,Production

Chemical Properties

Pentamethylbenzene is a white to light yellow crystalline powder with a sweet odor. The compound is classified as an aromatic hydrocarbon. It is a relatively easily oxidized benzene derivative, with E1/2 of 1.95 V vs NHE.

Uses

Pentamethylbenzene was used to prepare a mixture of nitropentamethylbenzene and 2,3,4,5-tetramethylbenzyl nitrate. It was also used to prepare propene.

Definition

ChEBI: Pentamethylbenzene is a methylbenzene that is benzene in which five of the hydrogens are replaced by methyl groups.

Synthesis Reference(s)

Synthesis, p. 979, 1985 DOI: 10.1055/s-1985-31413

Synthesis

Pentamethylbenzene is obtained as a minor product in the Friedel–Crafts methylation of xylene to durene (1,2,4,5-tetramethylbenzene). Like durene, pentamethylbenzene is rather electron-rich and undergoes electrophilic substitution readily. Indeed, it is used as a scavenger for carbocations.
Pentamethylbenzene has been observed as an intermediate in the formation of hexamethylbenzene from phenol and alkylation of durene or pentamethylbenzene has been reported as a suitable starting material for the synthesis of hexamethylbenzene.

Purification Methods

Successively crystallise it from absolute EtOH, aqueous EtOH, MeOH, toluene *C6H6, and dry it under vacuum. [Rader & Smith J Am Chem Soc 84 1443 1962.] It has also been sublimed. The 1,3,5-trinitrobenzene complex (1:1) has m 121o (EtOH). [Beilstein 5 H 443, 5 III 1010, 5 IV 1109.]

Precautions

Incompatible with oxidizing agents. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

Pentamethylbenzene synthesis

67-56-1
108-08-7
565-59-3
75-28-5
78-78-4
96-14-0
107-83-5
79-29-8
464-06-2
95-93-2
527-53-7
700-12-9
87-85-4
Synthesis of Pentamethylbenzene from Methanol

Pentamethylbenzene Preparation Products And Raw materials

Raw materials

Benzene, 1,2,3,4,5-pentamethyl-6-(trifluoromethyl)- acetic acid: (2,3,4,5,6-pentamethylphenyl)mercury PENTAMETHYLBENZOIC ACID 2',3',4',5',6'-PENTAMETHYLACETOPHENONE PENTAMETHYLIODOBENZENE
ALLYL TOLUENE-4-SULFONATE 2-Butyne

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Preparation Products

2,3,4,5,6-PENTAMETHYLBENZYL ALCOHOL 1-Butanone, 1-(2-methoxyphenyl)- PENTAMETHYLBENZENESULFONYL CHLORIDE 2,3,4,5,6-PENTAMETHYLBENZYL CHLORIDE BENZENEPENTACARBOXYLIC ACID
2,4-DIMETHYLPENTANE

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Pentamethylbenzene Suppliers

Global( 175)Suppliers
Supplier Tel Email Country ProdList Advantage
Henan Fengda Chemical Co., Ltd 		+86-371-86557731 +86-13613820652 info@fdachem.com China 20120 58
Capot Chemical Co.,Ltd. 		+86-（0）57185586718 +86-13336195806 sales@capot.com China 29640 60
Beijing Cooperate Pharmaceutical Co.,Ltd 		010-60279497 sales01@cooperate-pharm.com CHINA 1803 55
Shanghai Time Chemicals CO., Ltd. 		+86-021-57951555 +8617317452075 jack.li@time-chemicals.com China 1803 55
career henan chemical co 		+86-0371-86658258 +8613203830695 sales@coreychem.com China 29812 58
Shaanxi Dideu Medichem Co. Ltd 		+8617392709771 1097@dideu.com China 3992 58
Fuxin Pharmaceutical 		+86-021-021-50872116 +8613122107989 contact@fuxinpharm.com China 9976 58
SIMAGCHEM CORP 		+86-5922680277 +86-13806087780 sale@simagchem.com China 17346 58
Hefei TNJ Chemical Industry Co.,Ltd. 		+86-0551-65418671 +8618949823763 sales@tnjchem.com China 34563 58
Finetech Industry Limited 		+86-27-8746-5837 +8619945049750 info@finetechnology-ind.com China 9539 58
Supplier Advantage
Henan Fengda Chemical Co., Ltd 		58
Capot Chemical Co.,Ltd. 		60
Beijing Cooperate Pharmaceutical Co.,Ltd 		55
Shanghai Time Chemicals CO., Ltd. 		55
career henan chemical co 		58
Shaanxi Dideu Medichem Co. Ltd 		58
Fuxin Pharmaceutical 		58
SIMAGCHEM CORP 		58
Hefei TNJ Chemical Industry Co.,Ltd. 		58
Finetech Industry Limited 		58

View Lastest Price from Pentamethylbenzene manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Pentamethylbenzene pictures 2026-07-09 Pentamethylbenzene
700-12-9
 $1.00-100.00 1KG 99% Henan Fengda Chemical Co., Ltd
Pentamethylbenzene pictures 2025-12-24 Pentamethylbenzene
700-12-9
 1KG 99.0% 1000 tons Shaanxi Dideu Medichem Co. Ltd
Pentamethylbenzene pictures 2025-04-04 Pentamethylbenzene
700-12-9
 1kg 98% 1Ton Henan Aochuang Chemical Co.,Ltd.

Pentamethylbenzene Spectrum

Pentamethylbenzene(700-12-9)MSPentamethylbenzene(700-12-9)1HNMRPentamethylbenzene(700-12-9)13CNMRPentamethylbenzene(700-12-9)IR1Pentamethylbenzene(700-12-9)IR2Pentamethylbenzene(700-12-9)Raman

700-12-9(Pentamethylbenzene)Related Search:

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2,3,5,6-TETRAMETHYLBENZYL CHLORIDE 1-(HYDROXYMETHYL)-2,3,4,5,6-PENTAMETHYLBENZENE DECACYCLENE

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