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Hexadecanal

Hexadecanal structure

CAS No:
629-80-1
Formula:
C16H32O
Chemical Name:
Hexadecanal
Synonyms:
Hexadecanal;Palmitaldehyde;n-Hexadecan-1-al;1-Hexadecanal;n-Hexadecanal;Hexadecanaldehyde;Hexadecylaldehyde;Cetyl aldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Hexadecanal (Palmitaldehyde) is a free fatty aldehyde present in animals[1].

Solid

Hexadecanal is a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite.

Hexadecanal Basic Attributes

Molecular Weight：

240.431

Exact Mass：

240.42

EC Number：

211-111-0

UNII：

WQD27655QE

DSSTox ID：

DTXSID5042039

Characteristics

PSA：

17.1

XLogP3：

7.28

Appearance：

Solid

Density：

0.8±0.1 g/cm3

Melting Point：

35 °C

Boiling Point：

120 °C @ Press: 2 Torr

Flash Point：

138.9±6.0 °C

Refractive Index：

1.440

Collision Cross Section：

163.36 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

hexadecanal

Hexadecanal Use and Manufacturing

Uses

Hexadecanal is used in the production of lipid and fatty acids.

Manufacturing Info：

Hexadecanal: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty aldehydes [FA06]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:240.42
XLogP3:7.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:14
Exact Mass:240.245315640
Monoisotopic Mass:240.245315640
Topological Polar Surface Area:17.1
Heavy Atom Count:17
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Hexadecanal

Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
3 YRS

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hexadecanal cas629-80-1

CAS No.: 629-80-1

Grade: Pharmaceutical Grade

Content: 99%

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