2-Ethylhexanoic acid
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Identifiers
CAS number
149-57-5Molecular formula
C8H16O2SMILES
CCCCC(CC)C(=O)O
Retention indicies (RI)
- DB5: 1129.0
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Odor profile
fruity 83.14% cheesy 71.9% herbal 62.47% fatty 56.86% sour 51.28% oily 47.9% sweet 47.5% earthy 44.62% dairy 41.04% musty 38.02% Scent© AI
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Properties
XLogP3-AA
2.6 Well soluble in DEP, BB, MMBMolecular weight
144.21 g/molMelting points
- -117 °F (NTP, 1992)
- -59.00 °C. @ 760.00 mm Hg
- -59 °C
- -117 °F
Boiling points
- 442 °F at 760 mmHg (NTP, 1992)
- 228 °C
- 220.00 to 223.00 °C. @ 760.00 mm Hg
- 227 °C
- 442 °F
Flash points
- 260 °F (NTP, 1992)
- 118 °C
- 114 °C (closed cup)
- 245 °F (118 °C) (OPEN CUP)
- 118 °C o.c.
- 260 °F
Solubilities
- less than 1 mg/mL at 84 °F (NTP, 1992)
- Soluble in ethyl ether, carbon tetrachloride; slightly soluble in ethanol.
- Solubility in water = 1.4 g/L water at 25 °C.
- In water at 20 °C, 0.2 wt %. /2,000 mg/L/
- 2 mg/mL at 20 °C
- Solubility in water, g/100ml: 0.14 (very poor)
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Synonyms
- 2-ETHYLHEXANOIC ACID
- 149-57-5
- 2-Ethylcaproic acid
- Hexanoic acid, 2-ethyl-
- Ethylhexanoic acid
- Ethylhexoic acid
- 2-Ethylhexoic acid
- Butylethylacetic acid
- 2-Butylbutanoic acid
- 3-Heptanecarboxylic acid
- Ethyl hexanoic acid
- 2-ethyl-hexoic acid
- 2-ethyl hexanoic acid
- alpha-Ethylcaproic acid
- 2-ethyl-hexanoic acid
- Ethyl hexanoic acid, 2-
- alpha-ethyl caproic acid
- MFCD00002675
- .alpha.-Ethylcaproic acid
- 2-Ethyl-1-hexanoic acid
- 01MU2J7VVZ
- 2-EHA
- 2-ETHYL HEXOIC ACID,AR
- DTXSID9025293
- CHEBI:89058
- NSC-8881
- 2-Ethylhexansaeure
- 2-ethylhexanoicacid
- DTXCID805293
- 2-Ethylhexanoic acid, >=99%
- CAS-149-57-5
- 2 ETHYL HEXANOIC ACID
- CCRIS 3348
- HSDB 5649
- Kyselina 2-ethylkapronova [Czech]
- NSC 8881
- Kyselina 2-ethylkapronova
- EINECS 205-743-6
- (+/-)-2-ETHYLHEXANOIC ACID
- UNII-01MU2J7VVZ
- Kyselina heptan-3-karboxylova [Czech]
- BRN 1750468
- Kyselina heptan-3-karboxylova
- AI3-01371
- Hexanoic acid, 2-ethyl-, (-)-
- EINECS 262-971-9
- 2-Ethylcapronic acid
- 2-Ethyl-Hexonic acid
- alpha-Ethylhexanoic acid
- .alpha.-Ethylhexanoic acid
- EC 205-743-6
- SCHEMBL25800
- 2-Ethylhexanoic acid, 99%
- MLS002415695
- CHEMBL1162485
- WLN: QVY4 & 2
- NSC8881
- HMS2267F21
- STR05759
- 2-ETHYLHEXANOIC ACID [HSDB]
- Tox21_201406
- Tox21_300108
- LMFA01020087
- MSK157439
- AKOS009031416
- AT29893
- CS-W016381
- SB44987
- SB44994
- NCGC00091324-01
- NCGC00091324-02
- NCGC00091324-03
- NCGC00253985-01
- NCGC00258957-01
- 2-Ethylhexanoic acid, analytical standard
- SMR001252268
- 1ST157439
- MSK157439-1000
- E0120
- NS00010660
- EN300-20410
- 1ST157439-1000
- Q209384
- F0001-0703
- Z104478072
- 18FEB650-7573-4EA0-B0CD-9D8BED766547
- 2-Ethylhexanoic acid Solution in Acetonitrile, 1000?g/mL
- 2-Ethylhexanoic acid Solution in Acetonitrile, 1000mug/mL
- 2-Ethylhexanoic acid, Pharmaceutical Secondary Standard; Certified Reference Material
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Botanical
Name | CAS | Botanical | Proportion |
---|---|---|---|
Apple flower | Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae | 0.01% | |
Hedychium coronarium flower (Japan) | Hedychium coronarium Koenig, fam. Zingiberaceae | 0.02% | |
Lawsonia inermis flower 1b | Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae | 0.1% | |
Spearmint, scotch (Japan) | Mentha gracilis Sole, fam. Lamiaceae (Labiatae) | 0.01% | |
Datura flower headspace (Japan) | Datura candida (Pers.), fam. Solanaceae | 0.04% |