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Substance Name: Heptyl acetate
RN: 112-06-1
UNII: 6551B78I5U
InChIKey: ZCZSIDMEHXZRLG-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C9-H18-O2
Molecular Weight
- 158.239
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Heptyl acetate
Synonyms
- 1-Heptyl acetate
- 4-02-00-00162 (Beilstein Handbook Reference)
- Acetate C-7
- Acetic acid, heptyl ester
- AI3-02072
- BRN 1752297
- EINECS 203-932-8
- FEMA No. 2547
- Heptanyl acetate
- Heptyl acetate
- Heptyl ethanoate
- n-Heptyl acetate
- n-Heptyl acetate (natural)
- n-Heptyl ethanoate
- NSC 3833
- UNII-6551B78I5U
Systematic Names
- Acetic acid, heptyl ester
- Heptyl acetate
Superlist Name
- Heptyl acetate
Registry Numbers
CAS Registry Number
- 112-06-1
FDA UNII
- 6551B78I5U
Other Registry Number
- 25360-20-7
System Generated Number
- 0000112061
Structure Descriptors
InChI
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3InChIKey
ZCZSIDMEHXZRLG-UHFFFAOYSA-NSmiles
CCCCCCCOC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 813, 1974. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 813, 1974. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -5.02E+01 | deg C | EXP | |
| Boiling Point | 193 | deg C | EXP | |
| log P (octanol-water) | 3.320 | (none) | EST | |
| Atmospheric OH Rate Constant | 8.85E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.