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Gamma-Valerolactone(CAS No. 108-29-2)

Gamma-Valerolactone C5H8O2 (cas 108-29-2) Molecular Structure

108-29-2 Structure

Identification and Related Records

【Name】
Gamma-Valerolactone
【CAS Registry number】
108-29-2
【Synonyms】
4,5-Dihydro-5-methyl-2(3H)-furanone~4-Hydroxypentanoic acid lactone~gamma-Pentanolactone
【EINECS(EC#)】
203-569-5
【Molecular Formula】
C5H8O2 (Products with the same molecular formula)
【Molecular Weight】
100.12
【Inchi】
InChI=1/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
【InChIKey】
GAEKPEKOJKCEMS-UHFFFAOYSA-N
【Canonical SMILES】
CC1CCC(=O)O1
【MOL File】
108-29-2.mol

Chemical and Physical Properties

【Appearance】
colorless to pale yellow clear liquid
【Density】
1.05
【Melting Point】
-31℃
【Boiling Point】
207-208℃
【Vapour】
0.235mmHg at 25°C
【Refractive Index】
1.432-1.434
【Flash Point】
96℃
【Water】
MISCIBLE
【Solubilities】
MISCIBLE
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29322980
【Storage temp】
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
【Computed Properties】
Molecular Weight:100.11582 [g/mol]
Molecular Formula:C5H8O2
XLogP3-AA:0.6
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:100.05243
MonoIsotopic Mass:100.05243
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Formal Charge:0
Complexity:88.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0.8
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36
【Safety Statements 】
S26;S39
【HazardClass】
3
【Safety】
Hazard Codes:Xi
Risk Statements:36
36:Irritating to the eyes
Safety Statements:39-26
39:Wear eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:2
HS Code:29322980
【PackingGroup 】
I; II; III
【Transport】
无资料 
【Specification】

CLEAR COLOURLESS LIQUID
Safety Statements:39-26
39:Wear eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice

Use and Manufacturing

【Usage】
Used in the perfume and flavor industries.

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member shijiazhuang guizheng trade co.,ltd
Country:ChinaChina
Business Type:Trading Company
Telephone:86-312-18103315327
Diamond member chengdu yancey import& export trade co.,ltd
Country:ChinaChina
Business Type:Trading Company
Telephone:86-153-73023168
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Shenzhen Simeiquan Biotechnology Co.Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-20-18102838259
Hubei Yuancheng Saichuang Technology Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-68886732
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
Zhejiang Haiqiang Chemical Co.,Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-86960370
Tianjin Tongde Biotechnology Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-22-23309138

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