Toluene

CAS 108-88-3 C7H8

Toluene (CAS 108-88-3) is a chemical compound with molecular formula C7H8 and molecular weight 92.14 g/mol . GHS signal word: Danger. Hazard classifications: Flammable, Health Hazard, Serious Health Hazard.

What is Toluene?

Molecular Formula
C7H8
Molecular Weight
92.14 g/mol
Melting Point
-139 °F (NTP, 1992)
Boiling Point
231.1 °F at 760 mmHg (NTP, 1992)
Density
0.867 at 68 °F (USCG, 1999) - Less dense than water; will float
Solubility
less than 1 mg/mL at 64 °F (NTP, 1992)

Description

Toluene can cause developmental toxicity according to an independent committee of scientific and health experts. It can cause female reproductive toxicity according to California Labor Code.

Structure Identifiers

SMILES
CC1=CC=CC=C1
InChI
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
YXFVVABEGXRONW-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
92.0626 Da
XLogP
2.70
TPSA
0.0 Ų
H-Bond Donors
0
H-Bond Acceptors
0
Complexity
42
Formal Charge
0

Experimental

Measured physical and chemical properties from experimental literature.

Color / Form
Colorless liquid
Odor
Sweet, pungent, benzene-like odor
Vapor Pressure
10 mmHg at 43.5 °F ; 20 mmHg at 65.1 °F; 40 mmHg at 89.2 °F (NTP, 1992)
LogP
2.73
LogS
-2.21
Odor Threshold
Odor Threshold Low: 0.16 [ppm]
Decomposition
Can react vigorously with oxidizing materials.
Other
Conversion factors: 1 ppm = 3.77 mg/cu m at 1 atmosphere

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Flammable GHS02
GHS pictogram: Health Hazard GHS07
GHS pictogram: Serious Health Hazard GHS08

Hazard Statements

  • H225 Highly flammable liquid and vapour

Precautionary Statements

  • P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
  • P233 Keep container tightly closed
  • P240 Ground/bond container and receiving equipment
  • P241 Use explosion-proof electrical/ventilating/lighting equipment
  • P242 Use only non-sparking tools
  • P243 Take precautionary measures against static discharge
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P263 Avoid contact during pregnancy/while nursing
  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P271 Use only outdoors or in a well-ventilated area
  • P273 Avoid release to the environment
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P303+P361+P353 IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P331 Do NOT induce vomiting
  • P370+P378 In case of fire: Use appropriate media for extinction
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P403+P235 Store in a well-ventilated place. Keep cool
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (188)

  • 4i7k
  • MePh
  • PHME
  • CP 25
  • PhCH3
  • C01455
  • Dracyl
  • Q15779
  • Toluen
  • toluol
  • UN1294
  • C6H5CH3
  • DB11558
  • F600009
  • Tolueen
  • toluene
  • Tolueno
  • Toluolo
  • UN 1294
  • WLN: 1R
  • 108-88-3
  • GAA93323
  • GTPL5481
  • HSDB 131
  • MLA39935
  • RAA95438
  • SCHEMBL1
  • tolu-sol
  • toluene-
  • 203-625-9
  • 946-198-0
  • AI3-02261
  • DB-309420
  • methacide
  • NSC406333
  • p-toluene
  • SCHEMBL19
  • 25013-04-1
  • 3FPU23BG52
  • antisal 1a
  • CCRIS 2366
  • CHEMBL9113
  • NCI-C07272
  • NS00008096
  • NSC 406333
  • NSC-406333
  • SCHEMBL623
  • BIDD:ER0288
  • CHEBI:17578
  • CHEBI:38975
Show 138 more names
  • SCHEMBL2671
  • SCHEMBL3594
  • SCHEMBL6896
  • Toluene-13C
  • BDBM50008558
  • CAS-108-88-3
  • DTXCID501360
  • EC 203-625-9
  • methylbenzol
  • MFCD00008512
  • para-toluene
  • RefChem:6695
  • SCHEMBL82300
  • TOLUENE [MI]
  • Tox21_111042
  • Tox21_201224
  • AKOS015840411
  • DTXSID7021360
  • Methyl benzol
  • methylbenzene
  • Phenylmethane
  • SCHEMBL144860
  • SCHEMBL144861
  • SCHEMBL217118
  • SCHEMBL247722
  • SCHEMBL253647
  • SCHEMBL259113
  • SCHEMBL530796
  • methyl benzene
  • methyl-Benzene
  • phenyl methane
  • phenyl-methane
  • SCHEMBL1264051
  • SCHEMBL2203075
  • SCHEMBL2515874
  • SCHEMBL3096690
  • SCHEMBL3796994
  • SCHEMBL5051512
  • SCHEMBL6860083
  • SCHEMBL6862147
  • SCHEMBL7574253
  • SCHEMBL7781309
  • SCHEMBL8105514
  • SCHEMBL9626025
  • SCHEMBL9786963
  • SR-01000944565
  • Toluen [Czech]
  • TOLUENE [HSDB]
  • TOLUENE [IARC]
  • TOLUENE-3,5-D2
  • Toluene, 99.5%
  • 1-Methylbenzene
  • 2-methylbenzene
  • 4-methylbenzene
  • Benzene, methyl
  • Caswell No. 859
  • NCGC00090939-01
  • NCGC00090939-02
  • NCGC00090939-03
  • NCGC00258776-01
  • SCHEMBL10575118
  • SCHEMBL15987405
  • SCHEMBL22284130
  • SCHEMBL30189552
  • Tolueen [Dutch]
  • TOLUENE [MART.]
  • toluene solvent
  • UNII-3FPU23BG52
  • 2-methyl benzene
  • 4-methyl-benzene
  • Benzene, methyl-
  • EINECS 203-625-9
  • Methane, phenyl-
  • SR-01000944565-1
  • TOLUENE [USP-RS]
  • Toluene ACS Grade
  • Toluene, for HPLC
  • Tolueno [Spanish]
  • Toluolo [Italian]
  • Methylbenzene, 9CI
  • monomethyl benzene
  • Toluene HPLC grade
  • Toluene, anhydrous
  • Toluene, LR, >=99%
  • RCRA waste no. U220
  • Toluene, HPLC Grade
  • TOLUENE [GREEN BOOK]
  • Toluene, ACS reagent
  • Toluene, AR, >=99.5%
  • Toluene, ASTM, 99.5%
  • Toluene, p.a., 99.5%
  • RCRA waste number U220
  • Toluene (Ring-D5, 98%)
  • Methylbenzene anhydrous
  • TOLUENE (RING-13C6, 99%)
  • Toluene, for HPLC, 99.9%
  • Benzyl Alcohol Impurity 8
  • Toluene (Methyl-13C, 99%)
  • Toluene, anhydrous, 99.8%
  • Toluene, for HPLC, >=99.8%
  • Toluene, for HPLC, >=99.9%
  • Toluene, HPLC grade, 99.8%
  • Toluene >99.9% for analysis
  • Toluene, LR, rectified, 99%
  • Toluene, analytical standard
  • Toluene, Environmental Grade
  • Toluene, Semiconductor Grade
  • Toluene, ACS reagent, >=99.5%
  • Toluene, AR, rectified, 99.5%
  • Toluene, LR, sulfur free, 99%
  • Toluene, for HPLC, >=99.7% (GC)
  • Toluene, technical grade, 95.0%
  • Toluene 10 microg/mL in Methanol
  • RAMIPRIL IMPURITY G [EP IMPURITY]
  • Toluene 100 microg/mL in Methanol
  • Toluene, SAJ first grade, >=99.0%
  • Toluene, Spectrophotometric Grade
  • EPA Pesticide Chemical Code 080601
  • Toluene 1000 microg/mL in Methanol
  • Toluene, purification grade, 99.8%
  • Toluene, anhydrous, (water < 50ppm)
  • Toluene, histology grade, practical
  • Toluene, JIS special grade, >=99.5%
  • Toluene [UN1294] [Flammable liquid]
  • Toluene ACS grade (benzene < 20 ppm)
  • Toluene, anhydrous, ZerO2(TM), 99.8%
  • Toluene, Laboratory Reagent, >=99.3%
  • Toluene, UV HPLC spectroscopic, 99.5%
  • InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H
  • Toluene, p.a., ACS reagent, reag. ISO, 99.5%
  • Toluene, suitable for scintillation, >=99.7%
  • Toluene, ACS spectrophotometric grade, >=99.5%
  • Toluene, suitable for determination of dioxins
  • D5191 Vapor Pressure - 7.1kPa (1.03 psi), 10 x 10 mL
  • Toluene, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%
  • Toluene, absolute, over molecular sieve (H2O <=0.005%), >=99.7% (GC)
  • Toluene, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.7% (GC)
  • Toluene (water < 20 ppm) packed in returnable 18, 90, or 180 liter stainless steel cylinders

Frequently asked questions

What is the CAS number of Toluene?

The CAS Registry Number for Toluene is 108-88-3.

What is the molecular formula of Toluene?

Toluene has the molecular formula C7H8 and a molecular weight of 92.14 g/mol.

What is the SMILES notation for Toluene?

The SMILES notation for Toluene is CC1=CC=CC=C1.

What is the melting point of Toluene?

The melting point of Toluene is -139 °F (NTP, 1992).

What is the boiling point of Toluene?

The boiling point of Toluene is 231.1 °F at 760 mmHg (NTP, 1992).

What is the density of Toluene?

The density of Toluene is 0.867 at 68 °F (USCG, 1999) - Less dense than water; will float.

How soluble is Toluene?

Solubility of Toluene: less than 1 mg/mL at 64 °F (NTP, 1992).

Is Toluene hazardous?

Toluene carries the following GHS hazard classifications: Flammable, Health Hazard, Serious Health Hazard. Signal word: Danger.

What are other names for Toluene?

Toluene is also known as 1-Methylbenzene, 108-88-3, 2-methyl benzene, 2-methylbenzene, 203-625-9.

Data sourced from PubChem CID 1140. Last updated .

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