CAS 6089-09-4|4-Pentynoic acid

Introduction:Basic information about CAS 6089-09-4|4-Pentynoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name4-Pentynoic acid
CAS Number6089-09-4Molecular Weight98.100
Density1.1±0.1 g/cm3Boiling Point199.2±0.0 °C at 760 mmHg
Molecular FormulaC5H6O2Melting Point54-57 °C(lit.)
MSDSChineseUSAFlash Point90.8±17.3 °C
Symbol
GHS05
Signal WordDanger

Names

Name4-pentynoic acid
SynonymMore Synonyms

4-Pentynoic acid BiologicalActivity

Description4-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 CatalogResearch Areas >>OthersSignaling 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

Density1.1±0.1 g/cm3
Boiling Point199.2±0.0 °C at 760 mmHg
Melting Point54-57 °C(lit.)
Molecular FormulaC5H6O2
Molecular Weight98.100
Flash Point90.8±17.3 °C
Exact Mass98.036781
PSA37.30000
LogP0.43
Vapour Pressure0.1±0.8 mmHg at 25°C
Index of Refraction1.462
InChIKeyMLBYLEUJXUBIJJ-UHFFFAOYSA-N
SMILESC#CCCC(=O)O
Storage condition2-8°C

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 WordDanger
Hazard StatementsH314
Precautionary StatementsP280-P305 + P351 + P338-P310
Personal Protective EquipmentEyeshields;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 CodesC
Risk PhrasesR34
Safety PhrasesS26-S36/37/39-S45
RIDADRUN 3261 8/PG 2
WGK Germany3
RTECSSC4751000
Packaging GroupIII
Hazard Class8
HS Code2916190090

Customs

HS Code2916190090
Summary2916190090 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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Synonyms

4-Pentynoic acid
MFCD00004407
EINECS 228-028-0
Pent-4-ynoic acid
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