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(S)-(-)-Tetrahydro-2-furoic acid

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Name

(S)-(-)-Tetrahydro-2-furoic acid

EINECS 618-003-6
CAS No. 87392-07-2 Density 1.262 g/cm3
PSA 46.53000 LogP 0.25000
Solubility N/A Melting Point N/A
Formula C5H8O3 Boiling Point 243.2 °C at 760 mmHg
Molecular Weight 116.117 Flash Point 113.2 °C
Transport Information UN 3265 8/PG 3 Appearance Colorless to light yellow liquid
Safety 26-36/37/39-45-36 Risk Codes 22-34-36/37/38
Molecular Structure Molecular Structure of 87392-07-2 ((S)-(-)-Tetrahydro-2-furoic acid) Hazard Symbols CorrosiveC, IrritantXi
Synonyms

2-Furancarboxylicacid, tetrahydro-, (S)-;(-)-Tetrahydro-2-furoic acid;(-)-Tetrahydrofuran-2-carboxylic acid;(S)-(-)-Tetrahydrofuran-2-carboxylicacid;(S)-Tetrahydro-2-furancarboxylic acid;(S)-Tetrahydro-2-furoic acid;

Article Data 6

(S)-(-)-Tetrahydro-2-furoic acid Specification

The IUPAC name of (S)-(-)-Tetrahydro-2-furoic acid is (2S)-oxolane-2-carboxylic acid. With the CAS registry number 87392-07-2, it is also named as 2-Furancarboxylicacid, tetrahydro-, (S)-. The product's categories are Carboxylicacid; Carbonic Acid; Chiral Compounds; Chiral; Tetrahydrofuran Series; Furans; Carboxylic Acids & Deriv.; Chiral Chemicals; Chiral Compound; Chiral Building Blocks; Heterocyclic Building Blocks. Besides, it is colorless to light yellow liquid, which should be stored in closed place. In addition, its molecular formula is C5H8O3 and molecular weight is 116.12.

The other characteristics of (S)-(-)-Tetrahydro-2-furoic acid can be summarized as: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.5; (4)ACD/LogD (pH 7.4): -4.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 26.15 cm3; (15)Molar Volume: 92 cm3; (16)Polarizability: 10.37×10-24cm3; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 113.2 °C; (20)alpha: -3 ° (in MeOH); (21)Enthalpy of Vaporization: 52.88 kJ/mol; (22)Boiling Point: 243.2 °C at 760 mmHg; (23)Vapour Pressure: 0.0107 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It is also irritating to eyes, respiratory system and skin. Besides, it may cause burns. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H]1OCCC1
(2)InChI: InChI=1/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1
(3)InChIKey: UJJLJRQIPMGXEZ-SCSAIBSYBV
(4)Std. InChI: InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1
(5)Std. InChIKey: UJJLJRQIPMGXEZ-SCSAIBSYSA-N

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