3-HEPTANOL

ChemicalBook > CAS DataBase List > 3-HEPTANOL

Product Name: 3-HEPTANOL
CAS No.: 589-82-2
Chemical Name: 3-HEPTANOL
Synonyms: FEMA 3547;3-HEPTANOL;ALCOHOL C7;Heptanol-3;heptan-3-ol;DL-3-HEPTANOL;n-Heptan-3-ol;3-Heptanol>(¨¤)-3-Heptan;3-HEPTANOL 97%
CBNumber: CB1200328
Molecular Formula: C7H16O
Formula Weight: 116.2
MOL File: 589-82-2.mol

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3-HEPTANOL Property

Melting point:: -70°C
Boiling point:: 66 °C/20 mmHg (lit.)
Density: 0.821 g/mL at 20 °C 0.818 g/mL at 25 °C (lit.)
refractive index: n20/D 1.421(lit.)
FEMA: 3547 | 3-HEPTANOL
Flash point:: 130 °F
storage temp.: 2-8°C
solubility: Chloroform, Methanol (Sparingly)
pka: 15.31±0.20(Predicted)
color: Colorless to Almost colorless
Odor: at 1.00 % in dipropylene glycol. powerful herbal
Odor Type: herbal
Water Solubility: 3.984g/L(25 ºC)
JECFA Number: 286
BRN: 1719067
Dielectric constant: 6.8600000000000003
LogP: 2.29
CAS DataBase Reference: 589-82-2(CAS DataBase Reference)
EPA Substance Registry System: 3-Heptanol (589-82-2)

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Safety

Hazard Codes: Xn
Risk Statements: 22
Safety Statements: 23-24/25
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
RTECS: MJ3150000
HS Code: 2905.19.9090
HazardClass: 3
PackingGroup: III
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

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H226Flammable liquid and vapour

H302Harmful if swallowed

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 109363
Product name: 3-Heptanol
Purity: 99%
Packaging: 25ml
Price: $71.4
Updated: 2024/03/01

TCI Chemical

Product number: H0035
Product name: 3-Heptanol
Purity: >98.0%(GC)
Packaging: 25mL
Price: $59
Updated: 2024/03/01

TCI Chemical

Product number: H0035
Product name: 3-Heptanol
Purity: >98.0%(GC)
Packaging: 500mL
Price: $613
Updated: 2024/03/01

TRC

Product number: H281210
Product name: (±)-3-Heptanol
Packaging: 10g
Price: $195
Updated: 2021/12/16

AK Scientific

Product number: 8762AB
Product name: Heptan-3-ol
Packaging: 25ml
Price: $136
Updated: 2021/12/16

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3-HEPTANOL Chemical Properties,Usage,Production

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)

Uses

Flotation frother, solvent and diluent in organic coatings, intermediates.

Uses

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.

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.

Hazard

Toxic by ingestion. Moderate fire risk.

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

3-HEPTANOL Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-HEPTANOL manufacturers

hebei hongtan Biotechnology Co., Ltd

Product: 3-HEPTANOL 589-82-2
Price: US $40.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 1000
Release date: 2024-03-26

Hebei Zhuanglai Chemical Trading Co Ltd

Product: 3-HEPTANOL 589-82-2
Price: US $45.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 20 tons
Release date: 2024-12-11

Hebei Weibang Biotechnology Co., Ltd

Product: 3-HEPTANOL 589-82-2
Price: US $30.00-10.00/KG
Min. Order: 50KG
Purity: 99%
Supply Ability: 500000kg
Release date: 2024-10-25

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