Formula of Benzyl alcohol (C7H8O)
Identification of Benzyl alcohol Chemical Compound
| Chemical Formula | C7H8O |
|---|---|
| Molecular Weight | 108.13782 g/mol |
| IUPAC Name | phenylmethanol |
| SMILES String | OCc1ccccc1 |
| InChI | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | WVDDGKGOMKODPV-UHFFFAOYSA-N |
Chemical Formula Description
The benzyl alcohol molecule contains a total of 16 atom(s). There are 8 Hydrogen atom(s), 7 Carbon atom(s), and 1 Oxygen atom(s). A chemical formula of benzyl alcohol can therefore be written as:
C7H8O
The chemical formula of benzyl alcohol shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- CAS #: 64-17-5
- Formula: C2H5OH
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Benzyl alcohol Molecule
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Structure Data File (SDF/MOL File) of benzyl alcohol
The structure data file (SDF/MOL File) of benzyl alcohol is available for download in the SDF page of benzyl alcohol providing the information about the atoms, bonds, connectivity and coordinates of benzyl alcohol, which is not completely available in the chemical formula representation. The benzyl alcohol structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of benzyl alcohol
The chemical structure image of benzyl alcohol is available in chemical structure page of benzyl alcohol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of benzyl alcohol and the chemical bonds that hold the atoms together.
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Molecular weight of benzyl alcohol
The molecular weight of benzyl alcohol is available in molecular weight page of benzyl alcohol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of benzyl alcohol.
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InChI (IUPAC International Chemical Identifier) information of benzyl alcohol
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of benzyl alcohol is:
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
It can provide a standard way to encode the molecular information of benzyl alcohol to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of benzyl alcohol is:
InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N
The InChIKey may allow easier web searches for benzyl alcohol, but it needs to be linked to the full InChI to get back to the original structure of the benzyl alcohol since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of benzyl alcohol
The benzyl alcohol compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of benzyl alcohol including the registry numbers is given below, if available:
- BBV-46883861
- Benzyl alcohol (JP16/NF/INN)
- StratoSpheres(TM) PL-HMS (Hydroxymethylstyrene) resin, 50-100 mesh, extent of labeling: 2.0 mmol loading, 1 % cross-linked
- Benzyl alcohol, puriss., meets analytical specification of Ph.??Eur., BP, NF, 99-100.5% (GC)
- Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 2.0-3.0 mmol loading, 1 % cross-linked
- Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 1.0-1.5 mmol/g loading, 1 % cross-linked
- Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 0.5-1.0 mmol/g loading, 1 % cross-linked with divinylbenzene
- Benzyl alcohol, polymer-bound, 100-200 mesh, extent of labeling: 1.0-2.0 mmol/g loading, 1 % cross-linked with divinylbenzene
- Benzyl alcohol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.0 mmol/g loading, 1 % cross-linked
- Benzyl alcohol, PharmaGrade, USP/NF, Ph Eur, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production.
- 66072-40-0
- 185532-71-2
- Benzyl alcohol, pharmaceutical secondary standard; traceable to USP and PhEur
- (Hydroxymethyl)polystyrene, 200-500 mesh, extent of labeling: ~1.1 mmol/g loading
- (Hydroxymethyl)polystyrene, 200-400 mesh, extent of labeling: ~1.7 mmol/g loading
- Benzyl alcohol, United States Pharmacopeia (USP) Reference Standard
- Polystyrene crosslinked with divinylbenzene, hydroxymethylated
- Polystyrene cross-linked with divinylbenzene, hydroxymethylated
- Benzyl alcohol, puriss. p.a., ACS reagent, >=99.0% (GC)
- Benzyl alcohol, European Pharmacopoeia (EP) Reference Standard
- Benzyl alcohol, certified reference material, TraceCERT(R)
- 3762963D-6C2A-4BFF-AD94-3180E51BCA68
- Z955123784
- StratoSpheres™ PL-HMS (Hydroxymethylstyrene) resin
- F0001-0019
- SR-01000872610-3
- J-000153
- I01-4406
- A800221
- D00077
- Benzyl alcohol, Vetec(TM) reagent grade, 98%
- Benzyl alcohol, SAJ special grade, >=99.0%
- Benzyl alcohol, SAJ first grade, >=98.5%
- Benzyl alcohol, p.a., ACS reagent, 99.0%
- E1519
- Benzyl alcohol, tested according to Ph.Eur.
- B2378
- Benzyl alcohol on polystyrene, 3.5 mmol/g
- I765
- Benzyl alcohol, ReagentPlus(R), >=99%
- Benzyl alcohol, ACS reagent, >=99.0%
- RTR-033774
- CCG-213843
- BENZYL ALCOHOL, U.S.P./N.F.
- Benzyl alcohol, natural, >=98%, FG
- Benzyl alcohol, >=99%, FCC, FG
- MFCD03792087
- Benzyl alcohol, anhydrous, 99.8%
- Baby's Own Teething Gel - 2.5%
- HY-B0892
- Benzyl alcohol, AR, >=99.5%
- Benzyl alcohol, analytical standard
- Pharmakon1600-01502555
- HMS3264B16
- Benzyl Alcohol Reagent ACS Grade
- Benzyl alcohol (JP17/NF/INN)
- Baby's Own Teething Gel 2.5%
- HMDB03119
- BDBM16418
- Zilactin Early Relief Cold Sore
- PENTADEOTEROBENZYL ALCOHOL
- Benzyl alcohol, 99% 250g
- Jsp000133
- Benzyl alcohol, LR, >=99%
- TB 13G
- METHYL, HYDROXYPHENYL-
- BIDD:ER0248
- Benzyl alcohol, polymer-bound
- Benzyl alcohol (JP15/NF)
- PINAPUR™ 9 BA-R
- Babys Own Gora Teething Lot
- LKG8494WBH
- Benzyl alcohol polymer-bound
- BENZYL ALCOHOL, ACS
- bmse000407
- (Hydroxymethyl)polystyrene
- Hydroxymethyl polystyrene
- Babys Own Teething Gel
- Nat. Benzyl Alcohol
- Sunmorl BK 20
- Ulesfia (TN)
- OBZ
- a-Toluenol
- a-Hydroxytoluene
- Benzyl Alcohole
- benzene-methanol
- Benzyl alkohol
- Alcoolbenzylique
- Bentanol
- Averteax
- Benzylalkohol
- Benzencarbinol
- Benzalcohol
- Benzalalcohol
- enzylalcohol
- CAS-100-51-6
- 1336-27-2
- Alcohol bencilico
- Alcool benzilico
- MFCD00004599
- TOLUENE,ALPHA-HYDROXY
- EPA Pesticide Chemical Code 009502
- Benzyl alcohol [USAN:INN:JAN]
- Benzyl alcohol Natural
- FEMA No. 2137
- aplha-Hydroxytoluene
- phenylmethan-1-ol
- Benzene Carbinol
- Alcoholum benzylicum [INN-Latin]
- Methanol benzene
- Aromatic alcohol
- Alcohol bencilico [INN-Spanish]
- Alcool benzylique [INN-French]
- Aromatic primary alcohol
- .alpha.-Hydroxytoluene
- benzenmethanol
- alcoholum benzylicum
- Itch-X
- Alcool benzilico [DCIT]
- Benzyl alcohol (natural)
- .alpha.-Toluenol
- Caswell No. 081F
- Phenyl Methanol
- benzylic alcohol
- hydroxymethylbenzene
- Phenylcarbinolum
- Methanol, phenyl-
- Benzylicum
- Alcool benzylique
- alpha-hydroxytoluene
- Benzal alcohol
- benzylalcohol
- Phenolcarbinol
- (Hydroxymethyl)benzene
- alpha-Toluenol
- Phenylmethyl alcohol
- Benzenecarbinol
- Benzoyl alcohol
- Hydroxytoluene
- 100-51-6
- phenylcarbinol
- benzenemethanol
- benzyl alcohol
- Phenyl-Methanol
- BENZYL-ALCOHOL
- Ulesfia
- Bentalol
- Euxyl K 100
Benzyl alcohol Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of benzyl alcohol? |
|---|
| C7H8O |
| How many atoms and what are they in the benzyl alcohol structure? |
| 16 atom(s) - 8 Hydrogen atom(s), 7 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what are they in the benzyl alcohol structure? |
| 16 bond(s) - 8 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 hydroxyl group(s), and 1 primary alcohol(s) |
| What’s the molecular weight of benzyl alcohol? |
| 108.13782 g/mol |
| What’s the SMILES string of benzyl alcohol? |
| OCc1ccccc1 |
| What’s the InChI of benzyl alcohol? |
| InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| What’s the InChIKey of benzyl alcohol? |
| WVDDGKGOMKODPV-UHFFFAOYSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).