3-Octanon-1-ol

Name: 3-Octanon-1-ol
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160497

CAS 65405-68-7C8H16O2MW 144.12 g/mol

3-Octanon-1-ol (CAS 65405-68-7) — formula C8H16O2, molecular weight 144.12 g/mol.

Specifications

CAS Number65405-68-7

Molecular FormulaC8H16O2

Molecular Weight144.12 g/mol

Boiling Point94.00 to 96.00 °C. @ 9.00 mm Hg

LogP1.2

Purchase Profile

What this product is

3-Octanon-1-ol is a chemical compound with CAS registry number 65405-68-7 and molecular formula C8H16O2 (molecular weight 144.12 g/mol).

Identification

CAS number: 65405-68-7

Its molecular formula C8H16O2 comprises 8 C, 16 H, 2 O atoms.

Also known as: 3-Octanon-1-ol · 3-(hydroxymethyl)heptan-2-one

Frequently Asked Questions

What is the CAS number of 3-Octanon-1-ol?

The CAS registry number of 3-Octanon-1-ol is 65405-68-7.

What is the molecular formula and molecular weight of 3-Octanon-1-ol?

Molecular formula C8H16O2, molecular weight 144.12 g/mol.

What other names is 3-Octanon-1-ol known by?

It is also registered under: 3-Octanon-1-ol, 3-(hydroxymethyl)heptan-2-one.

PubChem Public Data

Public-database records for 3-Octanon-1-ol (CAS 65405-68-7), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	100% (89 / 89)

This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.

Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.

Regulatory listings

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent Secondary components do not raise a safety concern.
GHS notification summary	100% (89 / 89)

Physical description and handling notes

colourless liquid with powerful, herbaceous, fruity, mildly spicy odour
very slightly
slightly soluble in water; soluble in alcohol
(in ethanol)

Reported physical properties

沸点	94.00 to 96.00 °C. @ 9.00 mm Hg
沸点	94.6 °C (8-9 mm Hg)
密度	0.945-0.949
折射率	1.444-1.447

How this substance is indexed

CAS Registry Number	65405-68-7
PubChem CID	5362561
分子式	C8H16O2
分子量	144.12 g/mol
IUPAC 名称	3-(hydroxymethyl)heptan-2-one
InChIKey	MHOXVRWQBOAOAU-UHFFFAOYSA-N
UNII（FDA）	NWU4UN7SMJ
ChEBI 编号	CHEBI:179943
FEMA 编号	2804
JECFA 编号	604

Documented uses

Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
2-Heptanone, 3-(hydroxymethyl)-: ACTIVE

Names this substance appears under

3-(Hydroxymethyl)heptan-2-one; 3-Octanon-1-ol; 3-(Hydroxymethyl)-2-heptanone; 2-Heptanone, 3-(hydroxymethyl)-; FEMA No. 2804; NWU4UN7SMJ; UNII-NWU4UN7SMJ; EINECS 265-739-5; DTXSID30867143; 3-OCTANON-1-OL [FHFI]; 3-HYDROXYMETHYL-2-HEPTANONE; 3-BUTYL-4-HYDROXY-2-BUTANONE; RefChem:92655; DTXCID10815349; (+-)-3-(HYDROXYMETHYL)-2-HEPTANONE; 3-(HYDROXYMETHYL)-2-HEPTANONE, (+-)-

Computed molecular descriptors

分子量	144.21
XLogP3	1.2
氢键供体数	1
氢键受体数	2
可旋转键数	5
精确质量	144.115029749
单同位素质量	144.115029749
拓扑极性表面积	37.3
重原子数	10
形式电荷	0

Database abstract

3-Octanon-1-ol is identified by CAS 65405-68-7, molecular formula C8H16O2 and molecular weight 144.12 g/mol. UNII NWU4UN7SMJ; ChEBI 179943; InChIKey MHOXVRWQBOAOAU-UHFFFAOYSA-N. 沸点: 94.00 to 96.00 °C. @ 9.00 mm Hg; 沸点: 94.6 °C (8-9 mm Hg); 密度: 0.945-0.949.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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