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Heptadecanal

Heptadecanal structure

CAS No:
629-90-3
Formula:
C17H34O
Chemical Name:
Heptadecanal
Synonyms:
Heptadecanal;Margaric aldehyde;n-Heptadecanal;1-Heptadecanal
Categories:
Chemical Reagents > Organic Reagents

Description

Solid

Heptadecanal is a long-chain fatty aldehyde that is heptadecane carrying an oxo substituent at position 1. It is found in citrus. It has a role as a plant metabolite and a coral metabolite. It is a long-chain fatty aldehyde, a 2,3-saturated fatty aldehyde and a saturated fatty aldehyde.

Heptadecanal Basic Attributes

Molecular Weight：

254.458

Exact Mass：

254.45

EC Number：

211-115-2

UNII：

74T693129Y

DSSTox ID：

DTXSID00212080

Characteristics

PSA：

17.1

XLogP3：

7.6

Appearance：

Solid

Density：

0.83g/cm3

Melting Point：

36 °C

Boiling Point：

173-176 °C

Flash Point：

146.9ºC

Refractive Index：

1.441

Water Solubility：

0.01584 mg/L @ 25 °C (est)

Safety Information

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Heptadecanal Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty aldehydes [FA06]

Computed Properties

Molecular Weight:254.5
XLogP3:7.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:15
Exact Mass:254.260965704
Monoisotopic Mass:254.260965704
Topological Polar Surface Area:17.1
Heavy Atom Count:18
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 629-90-3

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Heptadecanal 629-90-3

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