Table 1 Test and reference compounds

Non-ionics

C8EO4

1

O(CCCCCCCC)CCOCCOCCOCCO

C₁₆H₃₄O₅

19327-39-0

C12EO4

2

O(CCOCCOCCOCCO)CCCCCCCCCCCC

C₂₀H₄₂O₅

5274-68-0

C12EO8

3

CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO

C₂₈H₅₈O₉

3055-98-9

Anionics

C12AS

4a

CCCCCCCCCCCCOS(=O)(=O)[O–].[Na+]

C₁₂H₂₅NaO₄S

151-21-3

4b

CCCCCCCCCCCCOS(=O)(=O)[O–]

C12E4S

5a

O=S(OCCOCCOCCOCCOCCCCCCCCCCCC)([O–])=O.[Na+]

C₂₀H₄₁NaO₈S

5274-68-0

5b

O=S(OCCOCCOCCOCCOCCCCCCCCCCCC)([O–])=O

C12 carboxylate

6a

[O–]C(=O)CCCCCCCCCCC.[Na+]

C₁₂H₂₄NaO₂

629-25-4

6b

[O–]C(=O)CCCCCCCCCCC

6c

OC(=O)CCCCCCCCCCC

Cationics

C12TMAC

7a

CCCCCCCCCCCC[N+](C)(C)C.[Cl–]

C₁₅H₃₄ClN

112-00-5

7b

CCCCCCCCCCCC[N+](C)(C)C

C16TMAC

8a

CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl–]

C₁₉H₄₂ClN

112-02-7

8b

CCCCCCCCCCCCCCCC[N+](C)(C)C

C18BAC

9a

c1ccccc1C[N+](CCCCCCCCCCCCCCCCCC)(C)(C).[Cl–]

C₂₇H₅₀ClN

68391-01-5

9b

c1ccccc1C[N+](CCCCCCCCCCCCCCCCCC)(C)(C)

Amphoterics

C12–16ADB

10a

CCCCCCCCCCCC[N+](C)(CC([O–])=O)C

C₁₆H₃₃NO₂

683-10-3

10b

CCCCCCCCCCCC[N](C)(CC([O–])=O)C

10c

CCCCCCCCCCCCCC[N+](C)(CC([O–])=O)C

10d

CCCCCCCCCCCCCC[N](C)(CC([O–])=O)C

10e

CCCCCCCCCCCCCCCC[N+](C)(CC([O–])=O)C

10f

CCCCCCCCCCCCCCCC[N](C)(CC([O–])=O)C

C12AAP betaine

11a

CCCCCCCCCCCC(NCCC[N+](C)(CC([O–])=O)C)=O

C₁₉H₃₈N₂O₃

4292-10-8

11b

CCCCCCCCCCCC(NCCC[N](C)(CC([O–])=O)C)=O

C12DAO

12

[O–][N+](C)(C)CCCCCCCCCCCC

C₁₄H₃₁NO

1643-20-5

Reference compounds

ATR (neutral)

13

n(c(nc(n1)NC(C)C)NCC)c1Cl

C₈H₁₄ClN₅

1912-24-9

PCP (ionised)

14

Oc(c(c(c(c1Cl)Cl)Cl)Cl)c1Cl

C₆HCl₅O

87-86-5