155322
trans-Styrylacetic acid
96%
Synonym(s):
4-Phenyl-3-butenoic acid
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About This Item
Linear Formula:
C6H5CH=CHCH2CO2H
CAS Number:
Molecular Weight:
162.19
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
96%
Quality Level
assay
96%
greener alternative product score
old score: 22
new score: 3
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greener alternative product characteristics
Atom Economy
Design for Energy Efficiency
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.
sustainability
Greener Alternative Product
mp
84-86 °C (lit.)
functional group
carboxylic acid, phenyl
greener alternative category
SMILES string
OC(=O)C\C=C\c1ccccc1
InChI
1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+
InChI key
PSCXFXNEYIHJST-QPJJXVBHSA-N
General description
The polarized IR spectra of the hydrogen bond system in trans-styrylacetic acid has been studied.
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Application
trans-Styrylacetic acid (4-Phenyl-3-butenoic acid) was used as mechanism-based inhibitor of Peptidylglycine α-hydroxylating monooxygenase.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Related Content
Henryk T Flakus et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 65(2), 481-489 (2006-03-11)
We have investigated the polarized IR spectra of the hydrogen bond system in crystals of trans-styrylacetic acid C(6)H(5)CHCHCH(2)COOH, and also in crystals of the following three deuterium isotopomers of the compound: C(6)H(5)CHCHCH(2)COOD, C(6)H(5)CHCHCD(2)COOH and C(6)H(5)CHCHCD(2)COOD. The spectra were measured at
J Scognamiglio et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 50 Suppl 2, S120-S123 (2011-10-29)
A toxicologic and dermatologic review of 4-phenyl-3-buten-2-ol when used as a fragrance ingredient is presented. 4-Phenyl-3-buten-2-ol is a member of the fragrance structural group Aryl Alkyl Alcohols and is a secondary alcohol. The AAAs are a structurally diverse class of
Jee Yeon Lee et al.
International journal of systematic and evolutionary microbiology, 55(Pt 1), 257-262 (2005-01-18)
A 4-phenyl-3-butenoic acid-producing actinomycete, designated strain VK-A60T, was isolated from a soil sample collected from Koyang, Korea. Morphological and chemical characteristics of the strain were consistent with those of the genus Streptomyces. The cell wall of the strain contains LL-diaminopimelic
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 155322-25G | 04065274199139 |
| 155322-1G | 04061838742018 |
| 155322-10G | 04061838742001 |