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Merck
CN

193097

trans-3-Hexenoic acid

97%

Synonym(s):

(3E)-3-Hexenoic acid, (3E)-Hex-3-enoic acid, (E)-3-Hexenoic acid, (E)-Hex-3-enoic acid, 3(E)-Hexenoic acid

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About This Item

Linear Formula:
C2H5CH=CHCH2CO2H
CAS Number:
1577-18-0
Molecular Weight:
114.14
EC Number:
216-417-8
MDL number:
MFCD00002786
UNSPSC Code:
12352100
PubChem Substance ID:
24851580
NACRES:
NA.22

Key Documents

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vapor density

>1 (vs air)

Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.44 (lit.)

bp

118-119 °C/22 mmHg (lit.)

mp

11-12 °C (lit.)

density

0.963 g/mL at 25 °C (lit.)

functional group

carboxylic acid

SMILES string

CC\C=C\CC(O)=O

InChI

1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+

InChI key

XXHDAWYDNSXJQM-ONEGZZNKSA-N

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Application

trans-3-Hexenoic acid was used in the preparation of trans-3-hexen-1-ol, starting reagent for the synthesis of endo-brevicomin.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS7930
SHBS6798
SHBS0865
SHBP3993
SHBN9419

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Improved synthesis ofendo-brevicomin for the control of bark beetles (Coleoptera: Scolytidae).
Look M.
Journal of Chemical Ecology, 2(1), 83-86 (1976)
Fangfang Zeng et al.
Insect biochemistry and molecular biology, 113, 103213-103213 (2019-08-24)
Mosquitoes rely heavily on the olfactory system to find a host for a bloodmeal, plants for a source of energy and suitable sites for oviposition. Here, we examined a cluster of eight odorant receptors (ORs), which includes one OR, CquiOR1
Pingxi Xu et al.
Proceedings of the National Academy of Sciences of the United States of America, 111(46), 16592-16597 (2014-10-29)
Insect repellents are important prophylactic tools for travelers and populations living in endemic areas of malaria, dengue, encephalitis, and other vector-borne diseases. DEET (N,N-diethyl-3-methylbenzamide) is a 6-decade-old synthetic repellent, which is still considered the gold standard of mosquito repellents. Mosquitoes

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