| Identification | More | [Name]
3-HEPTANOL | [CAS]
589-82-2 | [Synonyms]
(+/-)-3-HEPTANOL
3-HEPTANOL
3-HEPTYL ALCOHOL
3-Hydroxyheptane
ALCOHOL C7
BUTYL ETHYL CARBINOL
DL-3-HEPTANOL
ETHYL N-BUTYLCARBINOL
FEMA 3547
N-BUTYLETHYLCARBINOL
1-Ethyl-1-pentanol
alcool3-heptylique
CH3(CH2)3CHOHCH2CH3
Dextro levo-3-heptanol
Ethylbutylcarbinol
heptan-3-ol
Heptanol-3
n-Heptan-3-ol
3-HEPTANOL 98+%
3-HEPTANOL 97% | [EINECS(EC#)]
209-661-1 | [Molecular Formula]
C7H16O | [MDL Number]
MFCD00004586 | [Molecular Weight]
116.2 | [MOL File]
589-82-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
-70°C | [Boiling point ]
66 °C/20 mmHg (lit.) | [density ]
0.818 g/mL at 25 °C(lit.)
| [FEMA ]
3547 | [refractive index ]
n20/D 1.421(lit.)
| [Fp ]
130 °F
| [storage temp. ]
2-8°C | [solubility ]
Chloroform, Methanol (Sparingly) | [form ]
neat | [pka]
15.31±0.20(Predicted) | [color ]
Colorless to Almost colorless | [Odor]
at 1.00 % in dipropylene glycol. powerful herbal | [biological source]
synthetic | [Odor Type]
herbal | [Water Solubility ]
3.984g/L(25 ºC) | [JECFA Number]
286 | [BRN ]
1719067 | [Henry's Law Constant]
3.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) | [Dielectric constant]
6.8600000000000003 | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3 | [InChIKey]
RZKSECIXORKHQS-UHFFFAOYSA-N | [SMILES]
CCCCC(O)CC | [LogP]
2.29 | [Uses]
Flotation frother, solvent and diluent in organic
coatings, intermediates. | [CAS DataBase Reference]
589-82-2(CAS DataBase Reference) | [EPA Substance Registry System]
3-Heptanol (589-82-2) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 1987 3/PG 3
| [WGK Germany ]
3
| [RTECS ]
MJ3150000
| [TSCA ]
TSCA listed | [HS Code ]
2905.19.9090 | [HazardClass ]
3 | [PackingGroup ]
III | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Flam. Liq. 3 | [Toxicity]
The acute oral LD50 was reported as 4.3 g/kg and 6 g/kg in mice and as 3.25 g/kg in rats . The acute dermal LD50 in rabbits was reported as > 5 g/kg . The acute inhalation LC 50 in mice was reported as 6.6 mg/litre |
| Hazard Information | Back Directory | [Hazard]
Toxic by ingestion. Moderate fire risk. | [Description]
3-Heptanol has a powerful, herbaceous odor and a pungent,
slightly bitter taste. May be prepared through catalytic hydrogenation
of ethyl-n-butyl ketone. | [Chemical Properties]
3-Heptanol has a powerful, herbaceous odor and a pungent, slightly bitter taste. | [Chemical Properties]
Colorless, oily liquid | [Occurrence]
Reported found in banana, papaya, French fried potato, peppermint oil, butter, fried or grilled beef, cognac, coffee, peated malt and rooibus tea (Aspalathius linearis) | [Definition]
ChEBI: Heptan-3-ol is a secondary alcohol. | [Preparation]
By catalytic hydrogenation of ethyl-n-butyl ketone. | [Aroma threshold values]
240 to 410 ppb. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 30, p. 3760, 1965 DOI: 10.1021/jo01022a038
Synthetic Communications, 26, p. 1065, 1996 DOI: 10.1080/00397919608003713 | [General Description]
3-Heptanol is the main biotransformation product of n-heptane. | [Biochem/physiol Actions]
Odor at 1.0% | [Metabolism]
In the rabbit, heptan-l-ol is metabolized partly by direct conjugation with glucuronic acid to form an ether glucuronide and mainly by oxidation to the carboxylic acid, which either undergoes further oxidation to CO2 or forms an ester glucuronide |
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