KiOR Compositional Profile for CAS# 1267611‐99‐3

GC/MS Quant. Summary for BioOil Study: DEMO DEMO DEMO DEMO DEMO

Density (g/cm3

): 1.083 1.082 1.081 1.080 1.062

LIMS I.D.: o102900830 o102901043 o102901222 o102901537 o102902147

BioOil BioOil BioOil BioOil BioOil

CAS bp (C) C H O mw wt. % wt. % wt. % wt. % wt. %

Cyclohexane 110‐82‐7 80.74 6 12 0 84.16

Methyl Vinyl Ketone 78‐94‐4 81.4 4 6 1 70.09 0.54 0.61 0.61 0.87

Butanal 123‐72‐8 74.8 4 8 1 72.11

2‐Butanone 78‐93‐3 79.64 4 8 1 72.11 1.66 0.59 0.62 0.74 0.90

2,5‐Dihydrofuran 1708‐29‐8 67.4 4 6 1 70.0898

Acetic Acid 64‐19‐7 118.1 2 4 2 60.05

Benzene 71‐43‐2 80.1 6 6 0 78.11 1.60 1.13 1.23 1.12 1.17

Methyl Cyclohexane 108‐87‐2 101 7 14 0 98.18

1‐hydroxy‐2‐propanone 116‐09‐6 145‐146 3 6 2 74.09

Propanoic Acid 79‐09‐4 141 3 6 2 74.08

Toluene 108‐88‐3 110.6 7 8 0 92.14 9.84 6.63 7.26 6.90 7.37

Ethyl Cyclohexane 1678‐91‐7 130‐132 8 16 0 112.21

2‐Cyclopenten‐1‐one 930‐30‐3 5 6 1 82.1 0.27 0.22 0.27 0.25 0.38

Furfural 98‐01‐1 96.08 5 4 2 96.08

Ethylbenzene 100‐41‐4 136 8 10 0 106.167 2.59 1.81 2.02 1.95 2.28

(p+m) Xylene 106‐42‐3 138 8 10 0 106 16 . 9 65 . 6 48 . 7 15 . 6 78 . 7 59 .

108‐38‐3 139 8 10 0 106.16

Styrene 100‐42‐5 145 8 8 0 104.15 1.29 0.92 1.02 0.97 1.03

o‐Xylene 95‐47‐6 144 8 10 0 106.16 1.29 0.89 0.98 0.94 1.00

Isopropylbenzene (Cumene) 98‐82‐8 152 9 12 0 120.19 0.04 0.03 0.03 0.03 0.03

Propyl Cyclohexane 1678‐92‐8 155 9 18 0 126.24

n‐Propylbenzene 98‐82‐8 152 9 12 0 120.19 0.23 0.17 0.18 0.18 0.22

3‐Ethyltoluene 620‐14‐4 158‐159 9 12 1 120.19 1.03 0.83 0.88 0.92 1.15

4‐Ethyltoluene 622‐96‐8 162 9 12 0 120.19 1.49 0.88 1.03 0.88 1.24

1,3,5‐Trimethylbenzene 108‐67‐8 164.7 9 12 0 120.19 0.09 0.06 0.06 0.05 0.08

2‐Ethyltoluene 611‐14‐3 164‐165 9 12 0 120.19 0.08 0.05 0.06 0.05 0.06

Phenol 108‐95‐2 181 9 6 1 94.11 3.29 2.38 2.72 2.73 3.30

1,2,4‐Trimethylbenzene 95‐63‐6 169‐171 9 12 0 120.19 1.35 0.92 1.01 0.98 1.03

Benzofuran 271‐89‐6 173 8 6 1 118.1 2.42 1.70 1.43 1.83 1.39

Isobutyl Benzene 538‐93‐2 170 10 14 0 134.22

1,2,3‐Trimethylbenzene 526‐73‐8 175‐176 9 12 0 120.19 0.14 0.10 0.11 0.11 0.11

Indane 496‐11‐7 176.5 9 10 0 118.176 1.28 0.91 1.02 0.99 1.01

Indene 95‐13‐6 175‐185 9 8 0 116.16 2.60 1.82 2.02 1.96 1.96

2‐Methylphenol (o‐cresol) 95‐48‐7 191.5 7 8 1 108.14 2.98 2.11 2.38 2.34 2.52

4‐Methylphenol (p‐cresol) 106‐44‐5 201.8 7 8 1 108.14 4.42 3.17 3.62 3.60 3.97

3‐Methylpheol (m‐cresol) 108‐39‐4 202.8 7 8 1 108.14

7‐Methylbenzofuran Methylbenzofuran 17059‐52‐8 196 1. 9 8 1 132 16 . 0 54 . 0 39 . 0 44 . 0 44 . 0 43 .

2‐Methylbenzofuran 4265‐25‐2 197‐198 9 8 1 132.16 1.10 0.79 0.86 0.85 0.85

2‐Ethylphenol 90‐00‐6 195‐197 8 10 1 122.16 0.32 0.23 0.26 0.25 0.27

2,5‐Dimethylphenol 95‐87‐4 212 8 10 1 122.16 3.01 2.07 2.25 2.26 2.35

1‐Methylindene 767‐59‐9 199 10 10 0 130.19 1.58 1.11 1.20 1.18 1.17

2‐Methylindene 2177‐47‐1 205.6 10 10 0 130.19 1.14 0.79 0.87 0.87 0.82

3‐Ethylphenol 620‐17‐7 8 10 1 122.16 0.53 0.53 0.55 0.21 0.21

4‐Ethylphenol 123‐07‐9 218 8 10 1 122.16 0.54 0.31 0.35 0.56 0.64

2,3‐Dimethylphenol 526‐75‐0 217 8 10 1 122.16 0.35 0.23 0.20 0.22 0.21

3,4‐Dimethylphenol 96‐65‐8 227 8 10 1 122.16 0.44 0.32 0.34 0.33 0.35

1,2‐Benzenediol ( )catechol) 120‐80‐9 245 6 6 2 110.11 0.39 0.34 0.42 0.46 0.79

5‐(Hydroxymethyl) furfural 67‐47‐0 6 6 3 126.11

1‐Indanol 697‐64‐3 9 10 1 134.18

3‐Methyl‐1,2‐benzenediol 488‐17‐5 241 7 8 2 124.14 0.31 0.19 0.20 0.25 0.40

1,4‐Benzenediol (hydroquinone) 123‐31‐9 285 6 6 2 110.11

1,3‐Benzenediol (Resorcinol) 108‐46‐3 6 6 2 110.11

4‐Methyl‐1,2‐benzenediol 452‐86‐8 251 7 8 2 124.14 0.30 0.29 0.36 0.42 0.58

Decahydronaphthalene (trans‐) 493‐02‐7 185 10 18 0 138.25

Decahydronaphthalene (cis‐) 493‐01‐6 193 10 18 0 138.25

Tetrahydronaphthalene 119‐64‐2 207 10 12 0 132.2

Naphthalene 91‐20‐3 218 10 8 0 128.17 1.14 0.82 0.90 0.84 0.75

2‐Methylnaphthalene Methylnaphthalene 91‐57‐6 241‐242 11 10 0 142 2. 1 57 . 1 06 . 1 17 . 1 10 . 0 97 .

1‐Methylnaphthalene 90‐12‐0 240‐243 11 10 0 142.2 0.14 0.10 0.11 0.10 0.10

Eugenol 97‐53‐0 254 10 12 2 164.2

2‐Ethylnaphthalene 939‐27‐5 251‐252 12 12 0 156.22 0.21 0.14 0.15 0.14 0.12

2,6‐Dimethylnaphthalene 581‐42‐0 262 12 12 0 156.22 1.12 0.74 0.81 0.76 0.69

2,7‐Dimethylnaphthalene 582‐16‐1 263 12 12 0 156.22 0.07 0.04 0.06 0.05 0.05

1‐Naphthalenol 90‐15‐3 278‐280 10 8 1 144.17 0.14 0.08 0.10 0.10 0.12

2‐Naphthalenol 135‐19‐3 285‐286 10 8 1 144.17 0.77 0.40 0.44 0.44 0.49

Acenaphthylene 208‐96‐8 280 12 8 0 152.19 0.03 0.01 0.02 0.02 0.02

Levoglucosan 498‐07‐7 6 10 5 162.14

Acenaphthene p 83‐32‐9 279 12 10 0 154.21 0.02 0.02 0.02 0.02 0.02

Fluorene 86‐73‐7 298 13 10 0 166.22 0.06 0.05 0.05 0.06 0.05

Phenanthrene 85‐01‐8 340 14 10 0 178.23 0.02 0.03 0.03 0.03 0.03

Anthracene 120‐12‐7 340 14 10 0 178.23 0.07 0.06 0.07 0.07 0.06

Fluoranthene 206‐44‐0 384 16 10 0 202.25 0.01 0.01 0.01 0.01 0.01

david.strobel Page 1 4/11/2011
KiOR Compositional Profile for CAS# 1267611‐99‐3

GC/MS Quant. Summary for BioOil Study: DEMO DEMO DEMO DEMO DEMO

Density (g/cm3

): 1.083 1.082 1.081 1.080 1.062

LIMS I.D.: o102900830 o102901043 o102901222 o102901537 o102902147

BioOil BioOil BioOil BioOil BioOil

CAS bp (C) C H O mw wt. % wt. % wt. % wt. % wt. %

Pyrene 129‐00‐0 404 16 10 0 202.25 0.01 0.01 0.01 0.01 0.01

Benz[a]anthracene 56‐55‐3 437.6 18 12 0 228.29 0.01 0.01 0.01 0.01 0.01

Chrysene 218‐01‐9 448 18 12 0 228.29 0.01

Benzo[b]fluoranthene 205‐99‐2 20 12 0 252.31

Benzo[k]fluoranthene 207‐08‐9 480 20 12 0 252.31

Benzo[a]pyrene 50‐32‐8 495 20 12 0 252.31

Indeno[123‐cd]pyrene 193‐39‐5 497.1 22 12 0 276.33

Dibenz[a,h]anthracene 53‐70‐3 524 22 14 0 278.35

Benzo[ghi]perylene 191‐24‐2 > 500 22 12 0 276.33

GC/MS Semi‐Quant. Summary

CAS bp (C) C H O mw wt. % wt. % wt. % wt. % wt. %

2‐Methylbenzaldehyde 529‐20‐4 199 8 8 1 120.06 0.14 0.21 0.24 0.25 0.25

2,3‐Dihydrobenzofuran 496‐16‐2 188 8 8 1 120.06 0.14 0.11 0.17 0.11 0.15

2‐Ethyl‐5‐methylphenol 1687‐61‐2 9 12 1 136.09 0.39 0.29 0.32 0.32 0.33

2 2',‐Bifuran 5905‐00‐0 8 6 2 134.04 8 6 2 134 04 0.36 0.27 0.32 0.26 0.36 0 36 0 27 0 32 0 26 0 36

1,3‐Dimethylindene 2177‐48‐2 11 12 0 144.09 0.92 0.64 0.76 0.76 0.64

1H‐Indenol 56631‐57‐3 9 8 1 132.06 1.73 1.25 1.36 1.36 1.54

Retene 483‐65‐8 390 18 18 0 234.34 0.06 0.07 0.07 0.07 0.06

david.strobel Page 2 4/11/2011