3-Heptanol

Bezeichnung:3-Heptanol

CAS-Nr589-82-2

Englisch Name:3-HEPTANOL

CBNumberCB1200328

SummenformelC7H16O

Molgewicht116.2

MOL-Datei589-82-2.mol

Synonyma

Heptan-3-ol

3-Heptanol

3-Heptanol physikalisch-chemischer Eigenschaften

Schmelzpunkt	-70°C
Siedepunkt	66 °C/20 mmHg (lit.)
Dichte	0.821 g/mL at 20 °C 0.818 g/mL at 25 °C (lit.)
FEMA	3547 \| 3-HEPTANOL
Brechungsindex	n20/D 1.421(lit.)
Flammpunkt	130 °F
storage temp.	2-8°C
Löslichkeit	Chloroform, Methanol (Sparingly)
pka	15.31±0.20(Predicted)
Farbe	Colorless to Almost colorless
Geruch (Odor)	at 1.00 % in dipropylene glycol. powerful herbal
Geruchsart	herbal
Biologische Quelle	synthetic
Wasserlöslichkeit	3.984g/L(25 ºC)
JECFA Number	286
BRN	1719067
Dielectric constant	6.8600000000000003
LogP	2.29
CAS Datenbank	589-82-2(CAS DataBase Reference)
EPA chemische Informationen	3-Heptanol (589-82-2)

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	22
S-Sätze:	23-24/25
RIDADR	UN 1987 3/PG 3
WGK Germany	3
RTECS-Nr.	MJ3150000
HS Code	2905.19.9090
HazardClass	3
PackingGroup	III
Toxizität	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

Gefahreninformationscode (GHS)

3-HEPTANOL Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
S-Sätze Betriebsanweisung:
S23:Gas/Rauch/Dampf/Aerosol nicht einatmen(geeignete Bezeichnung(en) vom Hersteller anzugeben).
S24/25:Berührung mit den Augen und der Haut vermeiden.
Beschreibung
3-Heptanol has a powerful, herbaceous odor and a pungent, slightly bitter taste. May be prepared through catalytic hydrogenation of ethyl-n-butyl ketone.
Chemische Eigenschaften
3-Heptanol has a powerful, herbaceous odor and a pungent, slightly bitter taste.
Chemische Eigenschaften
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)
Verwenden
Flotation frother, solvent and diluent in organic coatings, intermediates.
Verwenden
3-Heptanol can be used:
- As a solvent to form microenvironments around single-walled carbon nanotubes.
- To prepare substituted pyrimidine derivatives as C1 domain-targeted isophthalate analogs to study their binding affinities towards PKCα?isoform.
- As a building block to synthesize 4-(3-adamantan-1-yl-ureido)-butyric acid and cyclohexanecarboxylic acid derivatives as sEH inhibitors.
Definition
ChEBI: Heptan-3-ol is a secondary alcohol.
synthetische
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
Allgemeine Beschreibung
3-Heptanol is the main biotransformation product of n-heptane.
Hazard
Toxic by ingestion. Moderate fire risk.
Biochem/physiol Actions
Odor at 1.0%
Stoffwechsel
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

3-HEPTANOL Upstream-Materialien And Downstream Produkte

3-Heptanol Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

589-82-2, 3-HEPTANOL Verwandte Suche:

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