N-caproic acid isopropyl ester

Modify Date: 2024-01-12 11:32:59

N-caproic acid isopropyl ester Structure
N-caproic acid isopropyl ester structure
Common Name N-caproic acid isopropyl ester
CAS Number 2311-46-8 Molecular Weight 158.23800
Density 0.86 Boiling Point 168 °C
Molecular Formula C9H18O2 Melting Point N/A
MSDS N/A Flash Point 54 °C

 Names

Name propan-2-yl hexanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.86
Boiling Point 168 °C
Molecular Formula C9H18O2
Molecular Weight 158.23800
Flash Point 54 °C
Exact Mass 158.13100
PSA 26.30000
LogP 2.51830
Vapour Pressure 1.09mmHg at 25°C
Index of Refraction 1.416

 Safety Information

Hazard Codes F,Xn
Risk Phrases R11:Highly Flammable. R36/37/38:Irritating to eyes, respiratory system and skin . R65:Harmful: May cause lung damage if swallowed.
Safety Phrases S16-S62
RIDADR UN 2458 3/PG 2
WGK Germany 3
RTECS MM1997800
Hazard Class 3.0
HS Code 2915900090

 Synthetic Route

~91%

N-caproic acid isopropyl ester Structure

N-caproic acid ...

CAS#:2311-46-8

Literature: Mandal, Arun K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 5 p. 505

~90%

N-caproic acid isopropyl ester Structure

N-caproic acid ...

CAS#:2311-46-8

Literature: Travis, Benjamin R.; Sivakumar, Meenakshi; Hollist, G. Olatunji; Borhan, Babak Organic Letters, 2003 , vol. 5, # 7 p. 1031 - 1034

~68%

N-caproic acid isopropyl ester Structure

N-caproic acid ...

CAS#:2311-46-8

Literature: Gnanaprakasam, Boopathy; Ben-David, Yehoshoa; Milstein, David Advanced Synthesis and Catalysis, 2010 , vol. 352, # 18 p. 3169 - 3173

~6%

N-caproic acid isopropyl ester Structure

N-caproic acid ...

CAS#:2311-46-8

Literature: Tohma, Hirofumi; Maegawa, Tomohiro; Kita, Yasuyuki Synlett, 2003 , # 5 p. 723 - 725

~%

N-caproic acid isopropyl ester Structure

N-caproic acid ...

CAS#:2311-46-8

Literature: Tetrahedron, , vol. 65, # 51 p. 10637 - 10643

~%

N-caproic acid isopropyl ester Structure

N-caproic acid ...

CAS#:2311-46-8

Literature: Synthesis, , p. 223 - 227

~%

N-caproic acid isopropyl ester Structure

N-caproic acid ...

CAS#:2311-46-8

Literature: Journal of the American Oil Chemists' Society, , vol. 24, p. 257

~%

N-caproic acid isopropyl ester Structure

N-caproic acid ...

CAS#:2311-46-8

Literature: Advanced Synthesis and Catalysis, , vol. 352, # 18 p. 3169 - 3173

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Synonyms

N-CAPROIC ACID ISOPROPYL ESTER
MFCD00059436
Hexansaeure-isopropylester
Hexanoic acid,1-methylethyl ester
Isopropyl caproate
1-Methylethyl hexanoate
i-propyl hexanoate
Hexanoic Acid Isopropyl Ester
isopropyl hexanoate
Isopropyl capronate
EINECS 219-000-9
Isopropyl hexylate
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