Encyclopedia / Organic Intermediate

GAMMA-METHYLENE-GAMMA-BUTYROLACTONE structure

GAMMA-METHYLENE-GAMMA-BUTYROLACTONE

CAS：10008-73-8
MW:98.09994
MF：C5H6O2

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: GAMMA-METHYLENE-GAMMA-BUTYROLACTONE

1.2 Synonyms: 4,5-DIHYDRO-5-METHYLENE-2(3H)-FURANONE; 4-PENTENE-4-OLIDE; 5-METHYLENEDIHYDRO-2(5H)-FURANONE; 5-methylideneoxolan-2-one; alpha'-angelica lactone; dihydro-5-methylenefuran-2(3H)-one; EINECS 233-004-8; GAMMA-METHYLENE-GAMMA-BUTYROLACTONE, STAB.; gamma-Methylene-gamma-butyrolactonestabilized; MFCD00042762; Γ-Methylene-Γ-butyrolactone;

1.3 CAS No.: 10008-73-8

1.4 CID: 66201

1.5 EINECS: 233-004-8

1.6 Molecular Formula: C5H6O2

1.7 Inchi: InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2

1.8 InChkey: SIFBVNDLLGPEKT-UHFFFAOYSA-N

1.9 Canonical Smiles: C=C1CCC(=O)O1

1.10 Isomers Smiles: C=C1CCC(=O)O1

2. Properties

2.1 Appearance: CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

2.2 Chemical Properties: CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

2.3 Water Solubility: soluble in CH2Cl2, CHCl3, petroleumether，Solubility in water: 1g/20ml (15 C)

3. Use and Manufacturing

3.1 Description: Alpha'-angelica lactone is a butan-4-olide and a gamma-lactone.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H317 May cause an allergic skin reaction H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Precautionary statement(s)
Prevention	P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P284 [In case of inadequate ventilation] wear respiratory protection.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Synthesis Route

10008-73-8Total: 17 Synthesis Route

591-80-0

591-80-0 99 Suppliers

10008-73-8

10008-73-8 12 Suppliers

591-12-8

591-12-8 89 Suppliers

10008-73-8

10008-73-8 12 Suppliers

6. Precursor and Product

precursor:

1729-32-4

1729-32-4

5390-04-5

5390-04-5

1968-40-7

1968-40-7

96017-61-7

96017-61-7

79909-75-4

79909-75-4

591-80-0

591-80-0

6089-09-4

6089-09-4

591-12-8

591-12-8

product:

19041-15-7

19041-15-7

123-76-2

123-76-2

58917-25-2

58917-25-2

1487-57-6

1487-57-6

115077-66-2

115077-66-2

115077-70-8

115077-70-8

591-12-8

591-12-8

7. Computed Properties

Molecular Weight：98.09994g/mol
Molecular Formula：C₅H₆O₂
Compound Is Canonicalized：True
Exact Mass：0.6
XLogP3-AA：98.036779430
Monoisotopic Mass：98.036779430
Complexity：115
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：：7
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACASAgAAACAAABACIAADSCAAACAAgAAAAAAEAAAgAABAAAQACAAAEgAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8.Other Information

Merck: 14,647

BRN: 1560870

Chemical Properties: CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

Synthesis Reference(s): Journal of the American Chemical Society, 109, p. 6385, 1987 DOI: 10.1021/ja00255a025
The Journal of Organic Chemistry, 43, p. 561, 1978
Tetrahedron Letters, 17, p. 4651, 1976 DOI: 10.1016/S0040-4039(00)93957-1

9. Toltal 12 Suppliers View more

Gamma-Methylene-Gamma-Butyrolactone

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

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gamma-Methylene-gamma-butyrolactone

TCI (Shanghai) Development Co., Ltd.

Tel: Update Time:2019/11/26

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CAS 10008-73-8, gamma-Methylene-gamma-butyrolactone

EASTRUST GROUP CO LTD

Tel: Update Time:2019/02/25

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2(3H)-Furanone,dihydro-5-methylene-

Chemos GmbH

Tel: Update Time:2019/02/25

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GAMMA-METHYLENE-GAMMA-BUTYROLACTONE

Fluorochem Ltd.

Tel: Update Time:2019/11/25

inquire

10. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 EINECS(EC#)
1.5 Molecular Formula
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles

2. Properties

2.1 Appearance
2.2 Chemical Properties
2.3 Water Solubility

3. Use and Manufacturing

3.1 Description

5. Synthesis Route

6. Precursor and Product

7. Computational chemical data

8. Other Information

9. Toltal 12 Suppliers

10. Realated Product Infomation

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