Whiteboard Chemistry with Joe White

Organic Analysis

How chemists identify an unknown organic compound: test-tube reactions for each functional group, molecular formulae from mass spectrometry, and functional groups from infrared spectroscopy.

AQA 7404/7405 Paper 2
? C₄H₈O 72.0573
What this topic is for

Everything so far told you what compounds do. Organic analysis runs the film backwards: given an unknown, how do you prove what it is? You have three tools — test-tube reactions that reveal a functional group, mass spectrometry that pins down the molecular formula, and infrared spectroscopy that fingerprints the bonds. Top marks go to a systematic deduction, not one lucky guess.

Identifying functional groups by test-tube reactions & Required Practical 6

Four functional groups, four reliable wet tests — this is Required practical 6. For each, learn the reagent and the exact observation, because the marks are in the observation, not the name of the test.

Functional groupReagentPositive observation
Alkene (C=C)bromine waterorange solution → colourless solution (decolourised)
Carboxylic acid (–COOH)Na2CO3 / NaHCO3 (aq)effervescence (CO2; turns limewater cloudy)
Aldehyde (–CHO)Tollens’ reagentsilver mirror
Aldehyde (–CHO)Fehling’s / Benedict’s solutionblue solution → brick-red precipitate
1° / 2° alcoholacidified K2Cr2O7orange solution → green solution

Two of these do double duty. The carbonate test is the sure way to spot a carboxylic acid (only it is acidic enough to release CO2). And Tollens’/Fehling’s separate an aldehyde from a ketone: the aldehyde is oxidised and so reduces the reagent (silver mirror / brick-red precipitate), while a ketone does nothing.

bromine water · shake

+ alkene orange soln → colourless soln + alkane stays orange soln

The alkene adds Br2 across its C=C and uses it up — say decolourised, never “clear”

sodium carbonate solution

CO₂ ↑ + carboxylic acid effervescence + alcohol no bubbles

Only a carboxylic acid is acidic enough to free CO2 from a carbonate; the gas turns limewater cloudy

tollens’ reagent · warm gently

+ aldehyde silver mirror + ketone no change

Fehling’s does the same job: blue solution → brick-red precipitate with the aldehyde, stays a blue solution with the ketone

acidified K2Cr2O7 · warm

+ 1° or 2° alcohol orange soln → green soln + 3° alcohol stays orange soln

1°/2° alcohols (and aldehydes) reduce orange Cr2O72− to green Cr3+; a 3° alcohol resists oxidation

Always give the reagent and the observation for both substances — “no visible change” is a scoring answer; “nothing” is not.
Required practical 6 — tests for alcohol, aldehyde, alkene and carboxylic acid

You carry these four out on unknown liquids and record the observations. Two exam habits win marks: give the solution colour or precipitate (not “it reacts”), and give the negative result too (“stays an orange solution”, “no visible change”) so the pair is distinguished. An incorrect reagent scores nothing for the observations that follow. Practical skills are examined across all three papers — see the required practicals page.

🧪 Exam-style questions
Q1 [3 marks]

Give a reagent that could be added separately to each of CH3CH2CH2CHO and CH3CH2CH(OH)CH3 to distinguish between them. State what is observed in each case.

Show answer

Reagent: Tollens’ reagent (ammoniacal silver nitrate). 1 mark

With CH3CH2CH2CHO (aldehyde): silver mirror. 1 mark

With CH3CH2CH(OH)CH3 (secondary alcohol): no reaction / no visible change. 1 mark

Fehling’s (brick-red precipitate vs no change) is an equally good alternative. Do not accept acidified dichromate — it oxidises both.

Q2 [3 marks]

Give a reagent that could be added separately to cyclohexane and cyclohexene to distinguish between them. State what is observed in each case.

Show answer

Reagent: bromine water. 1 mark

With cyclohexane: stays an orange solution / no visible change. 1 mark

With cyclohexene: decolourised (orange solution → colourless solution). 1 mark

Acidified KMnO4 (purple solution → colourless solution with the alkene) also scores. Ignore “clear” for colourless.

Q3 [3 marks]

Three bottles contain either propan-1-ol, propanal or propanone. Each is warmed with Fehling’s solution. Identify the liquid that reacts with Fehling’s and give the observation, then suggest a further test to distinguish the remaining two liquids, with the observation for the one that reacts.

Show answer

Reacts with Fehling’s: propanal (aldehyde) — blue solution gives a brick-red precipitate. 1 mark

Further test: warm with acidified potassium dichromate(VI). 1 mark

Propan-1-ol (alcohol) turns the orange solution green; propanone gives no change. 1 mark

Source: AQA A-Level Chemistry past papers.

Mass spectrometry: finding the molecular formula

From atomic structure you know a mass spectrometer weighs ions. Run a whole molecule through it and the peak at the highest mass/charge value — the molecular ion peak, M — gives the relative molecular mass of the compound. (Lower peaks come from the molecule fragmenting.)

High-resolution mass spectrometry

Ordinary (nominal) masses are whole numbers, so different compounds can share one. High-resolution mass spectrometry uses precise atomic masses to several decimal places, and that pins down the molecular formula — because compounds with the same nominal Mr have different precise Mr.

Worked example — same nominal mass, different precise mass

Using precise masses 1H = 1.0078, 12C = 12.0000, 16O = 15.9949:

Both are “72” on a nominal scale, but a high-resolution instrument reads 72.0573 versus 72.0210 — enough to say which formula it is.

There is one thing mass spectrometry cannot do: tell isomers apart. Isomers share a molecular formula, so they share a precise Mr — identical molecular-ion peaks. To separate isomers you need infrared (the fingerprint region) or, at A2, NMR.

LOW RESOLUTION · nominal HIGH RESOLUTION · precise 72 m/z C₄H₈O? C₃H₄O₂? M peak resolves 72.0210 72.0573 C₃H₄O₂ C₄H₈O isomers share a molecular formula, so their precise masses are identical high-resolution mass spectrometry cannot tell isomers apart
Precise mass fixes the molecular formula; it cannot choose between isomers of that formula.
🧪 Exam-style questions
Q4 [1 mark]

High-resolution mass spectrometry gives precise relative molecular masses. Which compound has a precise Mr different from that of butanone (C4H8O)? Tick (✓) one box.

Q5 [3 marks]

The precise Mr of C5H12 is 72.1416 and of C5H10 is 70.1260. Use these data to find the precise Ar of hydrogen and of carbon (to 4 decimal places), then the precise Mr of C6H6.

Show answer

Difference of two H atoms = 72.1416 − 70.1260 = 2.0156, so Ar(H) = 1.0078. 1 mark

5 C = 72.1416 − 12(1.0078) = 60.0480, so Ar(C) = 12.0096. 1 mark

Mr(C6H6) = 6(12.0096) + 6(1.0078) = 78.1044. 1 mark

Answers to 4 dp (penalised once if not). ECF carries through.

Q6 [3 marks]

0.500 g of a hydrocarbon is analysed and found to contain 0.450 g of carbon. Calculate the empirical formula of this hydrocarbon.

Show answer

Mass of H = 0.500 − 0.450 = 0.050 g. 1 mark

Moles: C = 0.450 ÷ 12.0 = 0.0375; H = 0.050 ÷ 1.0 = 0.050. 1 mark

Ratio C : H = 0.0375 : 0.050 = 3 : 4, so the empirical formula is C3H4. 1 mark

Source: AQA A-Level Chemistry past papers.

Infrared spectroscopy

Bonds behave like springs: they absorb infrared radiation and vibrate more. Because each type of bond absorbs at its own characteristic wavenumber, an IR spectrum tells you which bonds — and therefore which functional groups — are present. You don’t memorise the numbers; they are given in Table A of the Data Booklet (reproduced below — the exact data you get in the exam). Your job is to use it.

BondWavenumber / cm−1Tells you
N–H (amines)3300–3500amine
O–H (alcohols)3230–3550 (broad)alcohol
C–H2850–3300almost every organic molecule
O–H (acids)2500–3000 (very broad)carboxylic acid
C≡N2220–2260nitrile
C=O1680–1750aldehyde, ketone, acid or ester
C=C1620–1680alkene
C–O1000–1300alcohol, ester
C–C750–1100fingerprint region (not diagnostic)

Reading a spectrum is a triage: is there a strong C=O around 1700? Is there a broad O–H? A sharp peak near 1700 with a very broad 2500–3000 hump means a carboxylic acid; a C=O with no broad O–H points to an aldehyde or ketone; a broad O–H at 3230–3550 with no C=O is an alcohol.

The fingerprint region

Below about 1500 cm−1 is the fingerprint region — a dense pattern of peaks that is unique to each molecule. You don’t interpret individual peaks here; you match the whole pattern to a database of known spectra. That is how two compounds with the same functional groups (even isomers) are told apart, and how impurities are spotted.

PROPAN-1-OL · an alcohol BUTANONE · a ketone BUTANOIC ACID · a carboxylic acid broad O–H C–H no O–H band strong C=O very broad O–H (2500–3000) C=O 40003000200015001000500 wavenumber / cm⁻¹ fingerprint region < 1500 transmittance / %
Use the diagnostic peaks to name the functional group; use the fingerprint region to confirm the exact molecule.

Infrared and global warming

The same physics explains the greenhouse effect. Bonds in carbon dioxide, methane and water vapour absorb infrared radiation given off by the Earth; the polar bonds vibrate and re-emit that energy, trapping heat in the atmosphere. Say the bonds are polar and absorb IR — not that “CO2 is a polar molecule” (it isn’t).

Sun EARTH’S SURFACE greenhouse gases H₂O · CO₂ · CH₄ SURFACE 15°C

Press play to follow the energy: short-wavelength radiation in from the Sun, long-wavelength infrared back out, and some of it trapped. Drag the slider to add greenhouse gas.

🧪 Exam-style questions
Q7 [1 mark]

Which method can distinguish between (CH3)2CHCH2CHO and (CH3)3CCHO? Tick (✓) one box.

Q8 [1 mark]

A compound with molecular formula C4H8O gives an infrared spectrum with a strong absorption at about 1715 cm−1 and no broad absorption in the range 3230–3550 cm−1. Which functional group does it contain? Tick (✓) one box.

Q9 [1 mark]

The infrared spectrum of methane shows absorptions around 3000 cm−1. Use this to explain why methane acts as a greenhouse gas.

Show answer

Methane absorbs infrared radiation (its C–H bonds, 2850–3300 cm−1, absorb IR and vibrate), so it traps heat in the atmosphere. 1 mark

Must convey absorbing / taking in IR. Penalise reference to bonds other than C–H for methane.

Q10 [1 mark]

The infrared spectrum below is of an organic compound. Which compound could produce this spectrum? Tick (✓) one box.

40003000200015001000500 100 50 0 transmittance / % wavenumber / cm⁻¹
Q11 [2 marks]

Compounds A and B both have the molecular formula C4H8O2. Use their infrared spectra below to deduce a possible structural formula for compound A and for compound B.

SPECTRUM A 40003000200015001000500 100 50 0 transmittance / % wavenumber / cm⁻¹ SPECTRUM B 40003000200015001000500 100 50 0 transmittance / % wavenumber / cm⁻¹
Show answer

A shows a strong C=O absorption (1680–1750 cm−1) and a broad O–H (alcohols) absorption (3230–3550 cm−1), so it is a hydroxy-carbonyl — e.g. CH3COCH2CH2OH (or CH3CH(OH)CH2CHO). 1 mark

B shows the broad O–H (alcohols) absorption (3230–3550 cm−1) and a C=C absorption (1620–1680 cm−1) but no C=O at 1680–1750 cm−1 — e.g. HOCH2CH=CHCH2OH (but-2-ene-1,4-diol). 1 mark

Any C4H8O2 structure that fits the peaks is accepted; B must contain the C=C. Do not accept a carboxylic acid for A (its O–H would be the very broad 2500–3000 cm−1 band). Quote every peak in full — bond, group and Data Booklet range, e.g. “O–H (alcohols), 3230–3550 cm−1” — a bare number identifies nothing.

Source: AQA A-Level Chemistry past papers.

Deducing a structure — systematically

The hardest marks on this topic come from an unknown and a stack of data. Weak answers spot one clue and guess; strong answers work a sequence and rule structures in or out. Use this order:

The deduction sequence
  • Molecular formula — from the mass spectrum (molecular ion / precise mass) or from combustion/empirical data.
  • Functional groups — from the infrared spectrum (C=O? broad O–H? C≡N?).
  • Confirm — with a test-tube reaction (silver mirror, orange solution→green solution, effervescence…).
  • Consistency check — does one structure fit all the evidence? Rule the others out.
Precision points
  • Examiner reports flag that top marks here need a systematic elimination, not one spotted peak — connect every piece of data to the structure.
  • Give observations, never bare test names: “Tollens’ → silver mirror”, not just “Tollens’”.
  • Remember what each tool can’t do: mass spec can’t separate isomers; a single IR peak names a group but not the whole molecule.
🧪 Capstone question
Q12 [6 marks]

A student has samples of butanoic acid, 2-methylpropanal, 2-methylpropanoic acid and 2-methylpropan-1-ol but does not know which is which. Two can be identified by simple chemical tests; the other two (which share a functional group) can then be distinguished by a spectroscopic technique. Describe how to identify all four. This question is marked using levels of response.

Show answer

Stage 1 — the aldehyde: add Tollens’ (or Fehling’s). Only 2-methylpropanal gives a silver mirror (or brick-red precipitate). Stage 1

Stage 2 — the alcohol: warm with acidified potassium dichromate(VI). Only 2-methylpropan-1-ol turns the orange solution green; done in a sensible order so the aldehyde is already identified. Stage 2

Stage 3 — the two acids: butanoic acid and 2-methylpropanoic acid share the –COOH group, so tests match. Use infrared spectroscopy: compare the fingerprint regions against known spectra to match each one. Stage 3

Levels of response: full marks need all three stages, communicated in a logical sequence. (A carbonate test also separates the two acids from the aldehyde/alcohol as an alternative route.)

Source: AQA A-Level Chemistry past papers.

3.3.6 Organic analysis — Quick-reference summary
  • Test-tube tests: alkene → bromine water orange solution→colourless solution; carboxylic acid → carbonate effervescence; aldehyde → Tollens’ silver mirror / Fehling’s brick-red precipitate; 1°/2° alcohol → dichromate orange solution→green solution (ketone & 3° alcohol: no reaction).
  • Mass spectrometry gives the molecular formula: the molecular ion peak (M) = Mr; high-resolution precise masses separate compounds with the same nominal Mr but different formulae.
  • Isomers have the same molecular formula, so the same precise Mr — mass spectrometry cannot tell them apart.
  • Infrared: bonds absorb IR at characteristic wavenumbers (Data Booklet). Key: O–H alcohol 3230–3550 (broad); O–H acid 2500–3000 (broad); C=O 1680–1750; C≡N 2220–2260.
  • The fingerprint region (< 1500 cm−1) is unique to each molecule — match it to a known/database spectrum to confirm identity (or spot an impurity).
  • IR & global warming: bonds in CO2, CH4 and H2O absorb IR (the bonds are polar and vibrate), trapping heat — the greenhouse effect.
  • Deduce systematically: molecular formula (mass spec) → functional groups (IR) → confirm with tests → consistency check.

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