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Propanoic acid, 2-methyl-, pentyl ester

HCID 75554
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2445-72-9
Standard SMILES
CCCCCOC(=O)C(C)C
InChIKey
UYGGIIOLYXRSQY-UHFFFAOYSA-N
Molecular formula
C9H18O2
Average molar mass
158.241 g/mol
Monoisotopic mass
158.13067982

Names & identifiers

Preferred name
Propanoic acid, 2-methyl-, pentyl ester
IUPAC
Pentyl 2-methylpropanoate
English name
AMYL ISOBUTYRATE
Molecular formula
C9H18O2
Molecular weight
158.24

Names & synonyms

FEMA 2059PENTYL ISOBUTYRATEPropanoic acid, 2-methyl-, pentyl esterAMYL ISOBUTYRATEIsobutyrate n-amylPentyl isobutanoateN-AMYL-ISO-BUTYRATE1-Pentyl isobutyraten-Pentyl isobutyratePenthyl iso-butyrate

Database identifiers

CAS
2445-72-9
PubChem CID
75554
DTXSID
DTXSID5074341
ChEBI
CHEBI:230547
UNII
7UEX06WJZW
EC Number
219-494-6
Nikkaji
J100.892G

Properties

Physicochemical properties

Melting point
-73 °C · -73°C (estimate)
Boiling point
183.34 °C · 183.34°C (estimate)
Density
0.8809 · 0.8809 (estimate)
refractive index
1.3864 · 1.3864 (estimate)
FLAVIS Number
9.418 · 09.418 | Pentyl isobutyrate
Flash point
58 ℃ · 58℃ (tag closed test)
Odor
100 % · at 100.00 %. fruity apple banana apricot buttery
Odor Type
fruity
Cosmetics Ingredients Functions
PERFUMING
LogP
3.177 · 3.177 (est)
EWG's Food Scores
1 · 1
FDA UNII
7 UEX06WJZW · 7UEX06WJZW
EPA Substance Registry System
2 · Propanoic acid, 2-methyl-, pentyl ester (2445-72-9)
Symbol(GHS)
2 · GHS02
Signal word
Warning
Hazard statements
226 · H226
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS02
Hazard statements
H226

Chemistry & industry

Suppliers20 total

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Syntechem Co.,Ltd[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北中隆康盛精细化工有限公司027-027-83850178 18162590268 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
上海先臣化工有限公司
+86-021-64606569 +86-18049800532 · [email protected]
河南香多实业有限公司+86-15981848961 · [email protected]
Hebei Fengmu Trading Co., Ltd.+86-15632192160 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
河南香多实业有限公司0371-1598184-8961; 15981848961;18638673268 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]