3-Methylbut-2-enyl isobutyrate

HCID 173535
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Basic information

CAS
76649-23-5
Standard SMILES
CC(C)=CCOC(=O)C(C)C
InChIKey
YSJHMPXIMIOXGU-UHFFFAOYSA-N
Molecular formula
C9H16O2
Average molar mass
156.225 g/mol
Monoisotopic mass
156.11502975

Names & identifiers

Preferred name
3-Methylbut-2-enyl isobutyrate
IUPAC
3-Methylbut-2-en-1-yl 2-methylpropanoate
English name
PRENYL ISOBUTYRATE
Molecular formula
C9H16O2
Molecular weight
156.22

Names & synonyms

Propanoic acid, 2-methyl-, 3-methyl-2-butenyl esterPRENYL ISOBUTYRATEVERTENOL-ISO-BUTYRATE3-methylbut-2-enyl isobutyrate2-Methylpropanoic acid 3-methyl-2-butenyl esterPropanoic acid, 2-methyl-, 3-methyl-2-buten-1-yl ester

Database identifiers

CAS
76649-23-5
PubChem CID
173535
DTXSID
DTXSID6072841
ChEBI
CHEBI:171775
UNII
6W5A030WDT
EC Number
278-516-2
Nikkaji
J319.350K

Properties

Physicochemical properties

Boiling point
79.2 · 79.2-79.6 °C(Press: 13 Torr)
Density
0.895 · 0.895±0.06 g/cm3(Predicted)
FLAVIS Number
9.695 · 09.695 | Prenyl isobutyrate
FEMA
4206 · 4206 | PRENYL ISOBUTYRATE
Odor
100 % · at 100.00 %. fruity blueberry raspberry pomegranate pineapple chrysanthemum honey dried fruit
Odor Type
fruity

Safety & regulation

Safety data

wgk
WGK 3
tsca
TSCA listed
Storage Class
10 - Combustible liquids

Chemistry & industry

Upstream & downstream products

Suppliers6 total

武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]

Additional notes

DefinitionChEBI: Prenyl isobutyrate is a carboxylic ester.

Related reactions

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Compound notes

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