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Pentadecalactone

Pentadecalactone structure

CAS No:
106-02-5
Formula:
C15H28O2
Chemical Name:
Pentadecalactone
Synonyms:
Oxacyclohexadecan-2-one;Pentadecanoic acid,15-hydroxy-,ξ-lactone;Exaltolide;Pentadecanolide;Thibetolide;Pentadecalactone;1,15-Pentadecanolide;Cyclopentadecanolide;2-Pentadecalone;Muskalactone;15-Pentadecanolide;Pentadecanolactone;Pentalide;15-Hydroxypentadecanoic acid lactone;1-Oxacyclohexadecan-2-one;NSC 36763;CPE 215;cpd Supra;ω-Pentadecalactone;Macrolide Supra;15-Pentadecanolactone;81031-90-5
Categories:
Cosmetic Ingredient > Perfuming

Description

white crystalline low melting solid Cyclopentadecanolide occurs in small quantities in, for example, angelica root oil. It forms colorless crystals (mp 37–38°C) with a delicate, musk-like odor. ω-Pentadecalactone has an extraordinarily persistent, musk-like odor.

OtherSolid; WetSolid|Solid|white to pale yellow solid

Cyclopentadecanolide is a macrolide.

Pentadecalactone Basic Attributes

Molecular Weight：

240.38

Exact Mass：

240.38

BRN：

143710

EC Number：

203-354-6

UNII：

OK17S3S98K

NSC Number：

36763

DSSTox ID：

DTXSID6044359

HScode：

29322090

Characteristics

PSA：

26.3

XLogP3：

5.44

Appearance：

OtherSolid; WetSolid

Density：

0.918 g/mL at 25 °C(lit.)

Melting Point：

32 °C

Boiling Point：

176 °C

Flash Point：

>230 °F

Refractive Index：

1.47

Water Solubility：

Soluble in alcohol, dipropylene glycol. Insoluble in water.

Vapor Pressure：

6.18E-06mmHg at 25°C

Toxicity：

Both the acute oral LD 50 value in rats and the acute dermal LD 50 value in rabbits exceeded 5 g/kg (Levenstein, 1974).

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

RN9775000

Precautionary statement(s)：

P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (15.41%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 1813 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Not Classified

Drug Information

MeSH Entry Terms：

exaltolide

Pentadecalactone Use and Manufacturing

Uses

As a fixative in perfumery.

Odor agents

Air care products

Production

500,000 - 1,000,000 lb

Manufacturing Info：

All other chemical product and preparation manufacturing|Oxacyclohexadecan-2-one: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern|Food additives -> Flavoring Agents|Cosmetics -> Masking

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:240.38
XLogP3:5.8
Hydrogen Bond Acceptor Count:2
Exact Mass:240.208930132
Monoisotopic Mass:240.208930132
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Pentadecalactone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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