4-Pentynoic acid

Names

[ Name ]:
4-Pentynoic acid

[Synonym ]:
4-Pentynoic acid
MFCD00004407
EINECS 228-028-0
Pent-4-ynoic acid

Biological Activity

[Description]:

4-Pentynoic acid (Propargylacetic acid) is an intermediate to produce biologically active compounds. 4-Pentynoic acid is widely utilized as a building block for the synthesis of eight sequence-defined model oligomers[1].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. Elgafi, et al. Cyclization of acetylenic carboxylic acids and acetylenic alcohols to oxygen-containing heterocycles using cationic rhodium(I) complexes. Journal of Organometallic Chemistry.Volume: 607.Issue: 1-2.Pages: 97-104.Journal 2000.

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
199.2±0.0 °C at 760 mmHg

[ Melting Point ]:
54-57 °C(lit.)

[ Molecular Formula ]:
C₅H₆O₂

[ Molecular Weight ]:
98.100

[ Flash Point ]:
90.8±17.3 °C

[ Exact Mass ]:
98.036781

[ PSA ]:
37.30000

[ LogP ]:
0.43

[ Vapour Pressure ]:
0.1±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.462

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SC4751000

CHEMICAL NAME :: 4-Pentynoic acid

CAS REGISTRY NUMBER :: 6089-09-4

BEILSTEIN REFERENCE NO. :: 1742047

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C5-H6-O2

MOLECULAR WEIGHT :: 98.11

WISWESSER LINE NOTATION :: QV3UU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 28 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12263

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
C

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
SC4751000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2916190090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2916190090

[ Summary ]:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

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