HEXAMETHYLBENZENE

Modify Date: 2026-07-14 17:29:45

HEXAMETHYLBENZENE Structure
HEXAMETHYLBENZENE structure
Common Name HEXAMETHYLBENZENE
CAS Number 87-85-4 Molecular Weight 162.27100
Density 1,063 g/cm3 Boiling Point 264 °C(lit.)
Molecular Formula C12H18 Melting Point 165 °C
MSDS N/A Flash Point 265°C

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name hexamethylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1,063 g/cm3
Boiling Point 264 °C(lit.)
Melting Point 165 °C
Molecular Formula C12H18
Molecular Weight 162.27100
Flash Point 265°C
Exact Mass 162.14100
LogP 3.53700
Index of Refraction 1.501
InChIKey YUWFEBAXEOLKSG-UHFFFAOYSA-N
SMILES Cc1c(C)c(C)c(C)c(C)c1C

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA3200000
CHEMICAL NAME :
Benzene, hexamethyl-
CAS REGISTRY NUMBER :
87-85-4
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C12-H18
MOLECULAR WEIGHT :
162.30
WISWESSER LINE NOTATION :
1R B1 C1 D1 E1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 mL/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis) Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage
REFERENCE :
AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 19,403,1959 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1000 mg/kg
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - tumors
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 26,105,1966

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xn
Safety Phrases S24/25
WGK Germany 3
RTECS DA3200000
HS Code 2902909090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2902909090
Summary 2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

 HEXAMETHYLBENZENEBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Octanol-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL1798350
Name: Aqueous solubility
Source: ChEMBL
Target: N/A
External Id: CHEMBL631962
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

EINECS 201-777-0
MFCD00008523
HEXAMETHYLBENZENE

 HEXAMETHYLBENZENE | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular formula of hexamethylbenzene?
A: Molecular formula of hexamethylbenzene is C12H18.
Q: What is the melting point of hexamethylbenzene?
A: Melting point of hexamethylbenzene is 165 °C.
Q: What is the molecular weight of hexamethylbenzene?
A: Molecular weight of hexamethylbenzene is 162.27100.
Q: What is the English name of hexamethylbenzene?
A: The English name of hexamethylbenzene is hexamethylbenzene.
Q: What is the SMILES notation of hexamethylbenzene?
A: SMILES notation of hexamethylbenzene is Cc1c(C)c(C)c(C)c(C)c1C.
Q: What is the LogP of hexamethylbenzene?
A: LogP of hexamethylbenzene is 3.53700.
Q: What are the upstream materials of hexamethylbenzene?
A: Related upstream materials(CAS) of hexamethylbenzene: 503-17-3;67-56-1;7641-77-2;118-74-1;75-16-1;110-88-3;700-12-9;928-49-4.
Q: What English synonyms does hexamethylbenzene have?
A: English synonyms of hexamethylbenzene: EINECS 201-777-0, MFCD00008523, HEXAMETHYLBENZENE.
Q: What are the downstream products of hexamethylbenzene?
A: Related downstream products(CAS) of hexamethylbenzene: 74-87-3;95-93-2;526-73-8;527-53-7;108-88-3;71-43-2;517-60-2;17432-38-1;19936-85-7;29328-77-6.
Q: What is the CAS number of hexamethylbenzene?
A: CAS number of hexamethylbenzene is 87-85-4.

 HEXAMETHYLBENZENEfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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