KiOR Compositional Profile for CAS# 1267611‐71‐1

GC/MS Summary for BioOil Study: PQ‐Characterization

API 18.34

Analyst / Reviewer: DH / BADAM

Direct Oxygen (wt. %):

Density (g/cm3):

LIMS I.D.: O103231559

GC/MS Quant. Compounds BioOil OXYGEN

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

F ld h d Formaldehyde 50‐00‐0 ‐21 1 2 1 30.026 21 1 2 1 30 026 0.00 

Acetaldehyde 75‐07‐0 20.2 2 4 1 44.05 0.00

Cyclohexane 110‐82‐7 80.74 6 12 0 84.16 5.30 0.00

Methyl Vinyl Ketone 78‐94‐4 81.4 4 6 1 70.09 0.00

Butanal 123‐72‐8 74.8 4 8 1 72.11 0.00

2‐Butanone 78‐93‐3 79.64 4 8 1 72.11 0.00

2,5‐Dihydrofuran 1708‐29‐8 67.4 4 6 1 70.0898 0.00

Acetic Acid 64‐19‐7 118.1 2 4 2 60.05 0.00

Benzene Benzene 71‐43‐2 80.1 6 6 0 78.11 2 80.1 6 6 0 78.11 0.74 0.00

Methyl Cyclohexane 108‐87‐2 101 7 14 0 98.18 4.57 0.00

1‐hydroxy‐2‐propanone 116‐09‐6 145‐146 3 6 2 74.09 0.00

Propanoic Acid 79‐09‐4 141 3 6 2 74.08 0.00

Toluene 108‐88‐3 110.6 7 8 0 92.14 4.11 0.00

Ethyl Cyclohexane 1678‐91‐7 130‐132 8 16 0 112.21 2.32 0.00

2‐Cyclopenten‐1‐one 930‐30‐3 5 6 1 82.1 0.00

Furfural 98‐01‐1 96.08 5 4 2 96.08 0.00

Ethylbenzene 100‐41‐4 136 8 10 0 106.167 2.34 0.00

(p+m) Xylene 106‐42‐3 138 8 10 0 106 16 . 3 65 . 0 00 .

108‐38‐3 139 8 10 0 106.16 0.00

Styrene 100‐42‐5 145 8 8 0 104.15 0.00

o‐Xylene 95‐47‐6 144 8 10 0 106.16 0.68 0.00

Isopropylbenzene (Cumene) 98‐82‐8 152 9 12 0 120.19 0.16 0.00

Propyl Cyclohexane 1678‐92‐8 155 9 18 0 126.24 0.77 0.00

n‐Propylbenzene 98‐82‐8 152 9 12 0 120.19 0.48 0.00

3‐Ethyltoluene 620‐14‐4 158‐159 9 12 0 120.19 1.02 0.00

4‐Ethyltoluene y 622‐96‐8 162 9 12 0 120.19 1.41 0.00

1,3,5‐Trimethylbenzene 108‐67‐8 164.7 9 12 0 120.19 0.00

2‐Ethyltoluene 611‐14‐3 164‐165 9 12 0 120.19 0.27 0.00

Phenol 108‐95‐2 181 9 6 1 94.11 0.44 0.07

1,2,4‐Trimethylbenzene 95‐63‐6 169‐171 9 12 0 120.19 0.59 0.00

Benzofuran 271‐89‐6 173 8 6 1 118.1 0.01 0.00

Isobutyl Benzene 538‐93‐2 170 10 14 0 134.22 0.02 0.00

1,2,3‐Trimethylbenzene 526‐73‐8 175‐176 9 12 0 120.19 0.15 0.00

Indane 496‐11‐7 176.5 9 10 0 118.176 2.59 0.00

Indene 95‐13‐6 175‐185 9 8 0 116 16 . 0 00 .

2‐Methylphenol (o‐cresol) 95‐48‐7 191.5 7 8 1 108.14 1.49 0.22

4‐Methylphenol (p‐cresol) 106‐44‐5 201.8 7 8 1 108.14 0.22 0.03

3‐Methylpheol (m‐cresol) 108‐39‐4 202.8 7 8 1 108.14 0.00

7‐Methylbenzofuran 17059‐52‐8 196.1 9 8 1 132.16 0.00

2‐Methylbenzofuran 4265‐25‐2 197‐198 9 8 1 132.16 0.02 0.00

2‐Ethylphenol 90‐00‐6 195‐197 8 10 1 122.16 0.83 0.11

2,5‐Dimethylphenol 95‐87‐4 212 8 10 1 122.16 1.01 0.13

1‐Methylindene 767‐59‐9 199 10 10 0 130.19 0.00

2‐Methylindene 2177‐47‐1 205.6 10 10 0 130.19 0.00

3‐Ethylphenol 620‐17‐7 8 10 1 122.16 0.13 0.02

4‐Ethylphenol 123‐07‐9 218 8 10 1 122.16 0.09 0.01

2,3‐Dimethylphenol 526‐75‐0 217 8 10 1 122.16 0.00

3,4‐Dimethylphenol 96‐65‐8 227 8 10 1 122.16 0.00

1,2‐Benzenediol (catechol) 120‐80‐9 245 6 6 2 110.11 0.00

5‐(Hydroxymethyl) furfural 67‐47‐0 6 6 3 126.11 0.00

1‐Indanol 697‐64‐3 9 10 1 134.18 0.00

3‐Methyl‐1,2‐benzenediol benzenediol 488‐17‐5 241 7 8 2 124.14 0.00

1,4‐Benzenediol (hydroquinone) 123‐31‐9 285 6 6 2 110.11 0.00

1,3‐Benzenediol (Resorcinol) 108‐46‐3 6 6 2 110.11 0.00

david.strobel Page 1 4/11/2011
KiOR Compositional Profile for CAS# 1267611‐71‐1

GC/MS Summary for BioOil Study: PQ‐Characterization

API 18.34

Analyst / Reviewer: DH / BADAM

Direct Oxygen (wt. %):

Density (g/cm3):

LIMS I.D.: O103231559

GC/MS Quant. Compounds BioOil OXYGEN

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

4‐M hlety‐1 2,‐b di lenzenediol 452‐86‐8 251 7 8 2 124.14 8 251 7 8 2 124 14 0.00 

Decahydronaphthalene (trans‐) 493‐02‐7 185 10 18 0 138.25 0.30 0.00

Decahydronaphthalene (cis‐) 493‐01‐6 193 10 18 0 138.25 0.03 0.00

Tetrahydronaphthalene 119‐64‐2 207 10 12 0 132.2 1.41 0.00

Naphthalene 91‐20‐3 218 10 8 0 128.17 0.09 0.00

2‐Methylnaphthalene 91‐57‐6 241‐242 11 10 0 142.2 0.05 0.00

1‐Methylnaphthalene 90‐12‐0 240‐243 11 10 0 142.2 0.02 0.00

Eugenol 97‐53‐0 254 10 12 2 164.2 0.00

2‐Ethylnaphthalene ylnaphthalene 939‐27‐5 251‐252 12 12 0 156.22 252 12 12 0 156.22 0.01 0.00

2,6‐Dimethylnaphthalene 581‐42‐0 262 12 12 0 156.22 0.00

2,7‐Dimethylnaphthalene 582‐16‐1 263 12 12 0 156.22 0.00

1‐Naphthalenol 90‐15‐3 278‐280 10 8 1 144.17 0.00

2‐Naphthalenol 135‐19‐3 285‐286 10 8 1 144.17 0.00

Acenaphthylene 208‐96‐8 280 12 8 0 152.19 0.00

Levoglucosan 498‐07‐7 6 10 5 162.14 0.00

Acenaphthene 83‐32‐9 279 12 10 0 154.21 0.00

Fluorene 86‐73‐7 298 13 10 0 166.22 0.07 0.00

Phenanthrene Phenanthrene 85‐01‐8 340 14 10 0 178 23 . 0 02 . 0 00 .

Anthracene 120‐12‐7 340 14 10 0 178.23 0.00

Fluoranthene 206‐44‐0 384 16 10 0 202.25 0.00

Pyrene 129‐00‐0 404 16 10 0 202.25 0.01 0.00

Benz[a]anthracene 56‐55‐3 437.6 18 12 0 228.29 0.00

Chrysene 218‐01‐9 448 18 12 0 228.29 0.00

Benzo[b]fluoranthene 205‐99‐2 20 12 0 252.31 0.00

Benzo[k]fluoranthene 207‐08‐9 480 20 12 0 252.31 0.00

Benzo[a]pyrene [ ]py 50‐32‐8 495 20 12 0 252.31 0.00

Indeno[123‐cd]pyrene 193‐39‐5 497.1 22 12 0 276.33 0.00

Dibenz[a,h]anthracene 53‐70‐3 524 22 14 0 278.35 0.00

Benzo[ghi]perylene 191‐24‐2 > 500 22 12 0 276.33 0.00

GC/MS Semi‐Quant. Compounds

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

2‐Methylbenzaldehyde 529‐20‐4 199 8 8 1 120.06 0.00

2,3‐Dihydrobenzofuran 496‐16‐2 188 8 8 1 120.06 0.00

2‐Ethyl‐5‐methylphenol thylphenol 1687‐61‐2 9 12 1 136 09 . 0 07 . 0 01 .

2,2'‐Bifuran 5905‐00‐0 8 6 2 134.04 0.00

1H‐Indenol 56631‐57‐3 9 8 1 132.06 0.00

1,3‐Dimethylindene 2177‐48‐2 11 12 0 144.09 0.00

Retene 483‐65‐8 390 18 18 0 234.34 0.03 0.00

david.strobel Page 2 4/11/2011