10,12-Pentacosadiynoic acid

HCID 538433
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Basic information

CAS
66990-32-7
Standard SMILES
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O
InChIKey
ZPUDRBWHCWYMQS-UHFFFAOYSA-N
Molecular formula
C25H42O2
Average molar mass
374.6 g/mol
Monoisotopic mass
374.31848058

Overview

structure in first source

Names & identifiers

Preferred name
10,12-Pentacosadiynoic acid
IUPAC
pentacosa-10,12-diynoic acid
English name
10,12-PENTACOSADIYNOIC ACID
Molecular formula
C25H42O2
Molecular weight
374.6

Names & synonyms

10,12-Pentacosadiynoic acid66990-32-7DTXSID20337082PCDA cpdRefChem:7738510, 12-pentacosadiynoic acidDTXCID10288170614-006-1pentacosa-10,12-diynoic acidMFCD00041684C25H42O210-12-Pentacosadiynoic acid
Show more names
SKL130DA 3261TIMTEC-BB SBB00910910,12-Pentacosadiynoicaci10,12-Pentacosadiynioic acid10,12-PentacosadiynoicAcid>10,12-PENTACOSADIYNOIC ACID, 98+%10,12-PENTACOSADIYNECARBOXYLIC ACID
AKOS001016092AS-59405D9205810,12-Pentacosadiynoic acid, >=97.0% (HPLC)10,12-PentacosadiynoicacidZ56760628AMY3274FT-0607183

Database identifiers

CAS
66990-32-7
PubChem CID
538433
DTXSID
DTXSID20337082
EC Number
614-006-1
Nikkaji
J208.910F

Properties

Computed structural properties

XLogP
9.4
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
19
Heavy atoms
27

Physicochemical properties

Melting point
62 · 62-63°C
Boiling point
522.5 · 522.5±33.0 °C(Predicted)
Density
0.93 · 0.930±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
4.78 · 4.78±0.10(Predicted)
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1.1% (1 of 88) of reports.

Warning

H315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 88 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2916199590
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses10,12-Pentacosadiynoic Acid is used in the preparation of colorimetric and fluorescence sensors for cationic surfactants.

Uses10,12-Pentacosadiynoic acid (PCDA) is an amphiphilic diacetylene that can be used:In combination with a semifluorinated tetracosane ((CF3(CF2)7(CH2)15CH3) to synthesize mixed monolayer by photopolymerization.For the conversion of hydrophobic upconverting nanoparticles (UCNPs) to hydrophilic.To synthesize a polymer by combining with pyridine-2-aldoxime for colorimetric detection of malathion.To synthesize a thermochromic sensor constituting polymer fibres with monomeric unit of two PCDA linked by a p-phenylene group (bis-PCDA-Ph).As an inert coating material upon self-assembly and photopolymerization to modify the surface of Fe3O4 nanoparticles.

Upstream & downstream products

Suppliers81 total

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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