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Structure

(2E)-Hexen-1-yl butyrate

CAS
53398-83-7
Catalog Number
ACM53398837
Category
Insect Pheromone
Molecular Weight
170.25
Molecular Formula
C10H18O2

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Specification

Synonyms
trans-2-HEXENYLBUTYRATE, CID104485, Butanoic acid, 2-hexenyl ester, (Z)-, 53398-83-7
IUPAC Name
hex-2-enyl butanoate
InChI Key
PCGACKLJNBBQGM-UHFFFAOYSA-N
Boiling Point
190ºC(lit.)
Flash Point
186 °F
Density
0.885 g/mL at 25ºC(lit.)
Exact Mass
170.13100
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
S26-S36
WGK Germany
2
What is the molecular formula of (E)-2-Hexenyl butyrate?

The molecular formula of (E)-2-Hexenyl butyrate is C10H18O2.

What is the molecular weight of (E)-2-Hexenyl butyrate?

The molecular weight of (E)-2-Hexenyl butyrate is 170.25 g/mol.

What is the IUPAC name of (E)-2-Hexenyl butyrate?

The IUPAC name of (E)-2-Hexenyl butyrate is [(E)-hex-2-enyl] butanoate.

What is the InChI of (E)-2-Hexenyl butyrate?

The InChI of (E)-2-Hexenyl butyrate is InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+.

What is the InChIKey of (E)-2-Hexenyl butyrate?

The InChIKey of (E)-2-Hexenyl butyrate is PCGACKLJNBBQGM-VOTSOKGWSA-N.

What is the canonical SMILES of (E)-2-Hexenyl butyrate?

The canonical SMILES of (E)-2-Hexenyl butyrate is CCCC=CCOC(=O)CCC.

What is the CAS number of (E)-2-Hexenyl butyrate?

The CAS number of (E)-2-Hexenyl butyrate is 53398-83-7.

What is the FEMA number of (E)-2-Hexenyl butyrate?

The FEMA number of (E)-2-Hexenyl butyrate is 3926.

What is the molecular weight of (E)-2-Hexenyl butyrate according to PubChem?

The molecular weight of (E)-2-Hexenyl butyrate according to PubChem is 170.25 g/mol.

How many rotatable bond counts are there in (E)-2-Hexenyl butyrate?

There are 7 rotatable bond counts in (E)-2-Hexenyl butyrate.

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