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Substance Name: Octyl acetate
RN: 112-14-1
UNII: X0FN2J413S
InChIKey: YLYBTZIQSIBWLI-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C10-H20-O2
Molecular Weight
- 172.266
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Octyl acetate
Synonyms
- 1-Octanol acetate
- 1-Octyl acetate
- 2-Ethylhexyl acetate
- 4-02-00-00165 (Beilstein Handbook Reference)
- Acetate C-8
- AI3-11269
- BRN 1754554
- Caprylyl acetate
- EINECS 203-939-6
- FEMA No. 2806
- n-Octanyl acetate
- n-Octyl acetate
- n-Octyl ethanoate
- NSC 67348
- Octyl acetate
- Octyl acetate (natural)
- Octyl acetate, normal
- Octyl alcohol acetate
- Octyl ethanoate
- UNII-X0FN2J413S
Systematic Names
- Acetic acid, octyl ester
- Octyl acetate
Superlist Names
- Acetic acid, octyl ester
- n-Octyl acetate
- Octyl acetate
Registry Numbers
CAS Registry Number
- 112-14-1
FDA UNII
- X0FN2J413S
System Generated Number
- 0000112141
Structure Descriptors
InChI
1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3InChIKey
YLYBTZIQSIBWLI-UHFFFAOYSA-NSmiles
C(CCCCCC)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. 815, 1974. | |
rat | LD50 | oral | 3gm/kg (3000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 815, 1974. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | -3.85E+01 | deg C | EXP | |
Boiling Point | 210 | deg C | EXP | |
log P (octanol-water) | 3.810 | (none) | EST | |
Atmospheric OH Rate Constant | 1.03E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.