2-octynoic acid

Modify Date: 2024-01-03 11:16:46

2-octynoic acid Structure
2-octynoic acid structure
Common Name 2-octynoic acid
CAS Number 5663-96-7 Molecular Weight 140.18000
Density 0.961 g/mL at 25 °C(lit.) Boiling Point 148-149 °C19 mm Hg(lit.)
Molecular Formula C8H12O2 Melting Point 2-5 °C(lit.)
MSDS N/A Flash Point 214 °F

 Names

Name 2-octynoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.961 g/mL at 25 °C(lit.)
Boiling Point 148-149 °C19 mm Hg(lit.)
Melting Point 2-5 °C(lit.)
Molecular Formula C8H12O2
Molecular Weight 140.18000
Flash Point 214 °F
Exact Mass 140.08400
PSA 37.30000
LogP 1.65470
Index of Refraction n20/D 1.46(lit.)
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RI2725000
CHEMICAL NAME :
2-Octynoic acid
CAS REGISTRY NUMBER :
5663-96-7
BEILSTEIN REFERENCE NO. :
1751225
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H12-O2
MOLECULAR WEIGHT :
140.20
WISWESSER LINE NOTATION :
5OV1UU1

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 :
18 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#05747

 Safety Information

Hazard Codes C
Risk Phrases R20/21/22
Safety Phrases S26-S27-S36/37/39-S45
RIDADR UN 3265 8/PG 2
WGK Germany 3
RTECS RI2725000
Packaging Group II
Hazard Class 8
HS Code 2916190090

 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%

 Synonyms

EINECS 227-121-3
pentylpropiolic acid
MFCD00004364
m-Pentyl propiolate
oct-2-ynoic acid
Propiolic acid,pentyl
Propiolic acid,pentyl ester
2-OCTYNOIC ACID
Oct-2-insaeure
2-Octyn-1-oic acid
oct-2-ynoid acid