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3-Heptanol

3-Heptanol structure

CAS No:
589-82-2
Formula:
C7H16O
Chemical Name:
3-Heptanol
Synonyms:
3-Heptanol;3-Hydroxyheptane;1-Ethyl-1-pentanol;(±)-3-Heptanol;DL-3-Heptanol;NSC 2586;40617-58-1
Categories:
Cosmetic Ingredient > Perfuming

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Description

3-Heptanol has a powerful, herbaceous odor and a pungent, slightly bitter taste. Colorless, oily liquid

colourless oily liquid with a powerful, herbaceous odour

Heptan-3-ol is a secondary alcohol.

3-Heptanol Basic Attributes

Molecular Weight：

116.2

Exact Mass：

116.20

EC Number：

209-661-1

NSC Number：

88870|2586

DSSTox ID：

DTXSID20426425

Characteristics

PSA：

20.2

XLogP3：

2.29

Appearance：

colourless oily liquid with a powerful, herbaceous odour

Density：

0.8251 g/cm³ @ Temp: 15 °C

Melting Point：

187 °C

Boiling Point：

66 °C

Flash Point：

130 °F

Refractive Index：

1.421

Water Solubility：

3.984g/L(25 ºC)

Vapor Pressure：

0.74 mmHg

Toxicity：

Oral-Rat LD50: 1870 mg/kg

Flammability characteristics：

Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke

Safety Information

Hazard category：

Transport codes：

UN 1987 3/PG 3

wgk germany：

hazard class code：

safety instructions：

23-24/25

RTECS Number：

MJ3150000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226-H302

GHS Classification：

|Warning|H226 (99.94%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1674 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

3-Heptanol Use and Manufacturing

Methods of Manufacturing

It is derived from the catalytic hydrogenation of ethyl butanone.

Uses

Spices for food. Mainly used to prepare spice flavors.

Manufacturing Info：

3-Heptanol: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty alcohols [FA05]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:116.20
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:116.120115130
Monoisotopic Mass:116.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:43.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3-Heptanol

Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of fine chemicals,pharmaceutical materials

3-HEPTANOL

CAS No.: 589-82-2

Grade: industrial Grade

Content: 98%

Inquiry

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Guide of 3-Heptanol

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-Heptanol

SDS

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