1,2,3,4-Tetramethylbenzene

HCID 10263

Basic information

CAS
25619-60-7
Standard SMILES
Cc1ccc(C)c(C)c1C
InChIKey
UOHMMEJUHBCKEE-UHFFFAOYSA-N
Molecular formula
C10H14
Average molar mass
134.22 g/mol
Monoisotopic mass
134.10955045

Names & identifiers

Preferred name
1,2,3,4-Tetramethylbenzene
IUPAC
1,2,3,4-tetramethylbenzene
English name
1,2,3,4-Tetramethylbenzene
Molecular formula
C10H14
Molecular weight
134.21816

Names & synonyms

1,2,3,4-TETRAMETHYLBENZENE488-23-3PrehnitenePrehnitolBenzene, 1,2,3,4-tetramethyl-96WT7D2WXJNSC-93932CHEBI:38997DTXSID4060072RefChem:71330DTXCID3040645207-673-1
Show more names
TETRAMETHYLBENZENEMFCD00008521Benzene, tetramethyl-1,2,3,4-tetramethyl-benzeneUNII-96WT7D2WXJEINECS 207-673-1NSC 9393225619-60-7

Database identifiers

CAS
25619-60-7、488-23-3
PubChem CID
10263
DTXSID
DTXSID4060072
ChEMBL
CHEMBL1797278
ChEBI
CHEBI:38997
UNII
96WT7D2WXJ
EC Number
207-673-1
Nikkaji
J6.030E

Properties

Computed structural properties

XLogP
4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
10

Experimental & physicochemical properties

Physical DescriptionColorless liquid; [Hawley]
Kovats Retention Index · 3 items

1145.3;1175.2;1135.84;1136;1133;1140.9;1147;1139;1139;1139;1139;1127.5;1133;1135;1155;1160;1165;1168;1125.6;1148

1120;1122;1144.2;1148.2;1149.9;1149.9;1153.8;1144.2;1148.2;1149.9;1149.9;1153.8;1159.8;1169.4;1150.4;1136;1129.2;1132.7;1129.2;1132.7

1436;1430;1493;1495;1505.1;1461.6;1456;1434.7;1462;1464;1476;1462;1435;1462

Physicochemical properties

Melting point
-6.2 °C · -6.2 °C
Boiling point
205 °C · 205 °C
Density
0.9044 g/cm3 · 0.9044 g/cm3(Temp: 18 °C)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 3.1% (3 of 96) of reports.

Warning

H315 (96.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (96.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (96.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 96 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 96 reports by companies.;There are 2 notifications provided by 93 of 96 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationBenzene, 1,2,3,4-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryTetramethylbenzenes are toxic by ingestion (relatively low) with LD50s (rat) of >5000 mg/kg. [Ullmann] A skin and eye irritant; [MSDSonline] See Trimethyl benzene isomers.
Hazard Classes and CategoriesSkin Irrit. 2 (96.9%);Eye Irrit. 2 (96.9%);STOT SE 3 (96.9%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 items

1,2,3,4-Tetramethylbenzene

Volatile Organic Compound (VOC)

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Regulatory information

Regulatory InformationBenzene, 1,2,3,4-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Household ProductsInformation on 2 consumer products that contain Prehnitene in the following categories is provided:;• Auto Products
General Manufacturing InformationBenzene, 1,2,3,4-tetramethyl-: ACTIVE

Suppliers87 total

上海康恩博医药科技有限公司17510465506 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]

Related reactions

33 records

Compound notes

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