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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
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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(34)

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 Suppliers ( 177)
Supplier Tel Email Country ProdList Advantage
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
3B Pharmachem (Wuhan) International Co.,Ltd. 18930552037 3bsc@sina.com China 15813 69
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30103 84
TCI (Shanghai) Development Co., Ltd. 021-67121386 Sales-CN@TCIchemicals.com China 24512 81
Chang Zhou Chemistar Chemistry Technology Co.,Ltd +86 (519) 8689-6136 kr@krchemistar.com China 181 55
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44850 61
Shijiazhuang Sdyano Fine Chemical Co., Ltd. 0311-89250318 13582355795 master@sjzsdyn.com China 2776 65
Shanghai Longsheng chemical Co.,Ltd. 58099637 13585536065 sales@shlschem.com China 9880 59
Shanghai Hanhong Scientific Co.,Ltd. 021-54306202 13764082696 info@hanhongsci.com China 42917 64
Shandong Xiya Chemical Co., Ltd 13355009207 13355009207 3007715519@qq.com China 18722 57
Supplier Advantage
J & K SCIENTIFIC LTD. 76
3B Pharmachem (Wuhan) International Co.,Ltd. 69
Alfa Aesar 84
TCI (Shanghai) Development Co., Ltd. 81
Chang Zhou Chemistar Chemistry Technology Co.,Ltd 55
Energy Chemical 61
Shijiazhuang Sdyano Fine Chemical Co., Ltd. 65
Shanghai Longsheng chemical Co.,Ltd. 59
Shanghai Hanhong Scientific Co.,Ltd. 64
Shandong Xiya Chemical Co., Ltd 57

View Latest Price from Pentamethylbenzene manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Pentamethylbenzene pictures 2026-09-02 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:

o-Xylene 4-(Aminomethyl)benzoic acid Xylene Tolylene-2,4-diisocyanate p-Toluenesulfonic acid
3-Aminopyridine Mellitic acid 2',3',4',5',6'-Pentamethylacetophenone Hexamethylbenzene 2 3 5 6-Tetramethylbenzoic acid 98
2,3,4,5,6-Pentamethylbenzyl alcohol 2,4-Bis(chloromethyl)mesitylene Bromopentamethylbenzene 2,3,5,6-Tetramethylacetophenone 2,3,5,6-Tetramethyl-p-xylene-alpha,alpha'-diol
Pentamethylbenzonitrile 2,3,5,6-Tetramethylbenzyl chloride Decacyclene

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