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Substance Name: 4-Hexanolide
RN: 695-06-7
UNII: J16NAT1G41
InChIKey: JBFHTYHTHYHCDJ-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C6-H10-O2
Molecular Weight
- 114.143
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 4-Hexanolide
Synonyms
- 2(3H)-Furanone, 5-ethyldihydro-
- 4-Ethyl-4-butanolide
- 4-Ethyl-4-hydroxybutanoic acid lactone
- 4-Hexanolide
- 4-Hydroxyhexanoic acid lactone
- 5-17-09-00040 (Beilstein Handbook Reference)
- 5-Ethyldihydro-2(3H)-furanone
- 5-Ethyltetrahydro-2-furanone
- 6-Caprolactone
- AI3-36655
- BRN 0107260
- EINECS 211-778-8
- FEMA No. 2556
- gamma-Caprolactone
- gamma-Ethyl-n-butyrolactone
- gamma-Ethylbutyrolactone
- gamma-Hexalactone
- gamma-Hexanolactone
- Hexanoic acid, 4-hydroxy-, gamma-lactone
- Hexanolide-1,4
- NSC 134769
- NSC 24255
- Tonkalide
- Toukalide
- UNII-J16NAT1G41
Systematic Names
- 2(3H)-Furanone, 5-ethyldihydro-
- Hexan-4-olide
Superlist Name
- gamma-Hexalactone
Registry Numbers
CAS Registry Number
- 695-06-7
FDA UNII
- J16NAT1G41
Other Registry Number
- 57129-70-1
System Generated Number
- 0000695067
Structure Descriptors
InChI
InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3InChIKey
JBFHTYHTHYHCDJ-UHFFFAOYSA-NSmiles
CCC1CCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 794, 1979. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 794, 1979. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1.80E+01 | deg C | EXP | |
| Boiling Point | 215.5 | deg C | EXP | |
| log P (octanol-water) | 0.600 | (none) | EST | |
| Atmospheric OH Rate Constant | 5.45E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.