Heptadecanal

HCID 71552
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Basic information

CAS
629-90-3
Standard SMILES
CCCCCCCCCCCCCCCCC=O
InChIKey
PIYDVAYKYBWPPY-UHFFFAOYSA-N
Molecular formula
C17H34O
Average molar mass
254.5 g/mol
Monoisotopic mass
254.26096571

Overview

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 coral metabolite and a plant metabolite. It is a saturated fatty aldehyde, a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde.

Names & identifiers

Preferred name
Heptadecanal
IUPAC
heptadecanal
English name
heptadecanal
Molecular formula
C17H34O
Molecular weight
254.45

Names & synonyms

Heptadecanaln-heptadecanal629-90-31-Heptadecanalmargaraldehydeheptadecan-1-alMARGARIC ALDEHYDEHexadecyl AldehydeUNII-74T693129YAI3-24250EINECS 211-115-2DTXSID00212080
Show more names
Heptadecanal>HeptadecanaldehydeHeptadecanaldehyde Heptadecyl Aldehyde
CHEBI:13863174T693129YRefChem:145617DTXCID00134571211-115-2PIYDVAYKYBWPPY-UHFFFAOYSA-NMFCD04034658Heptadecyl Aldehyde

Database identifiers

CAS
629-90-3
PubChem CID
71552
DTXSID
DTXSID00212080
ChEBI
CHEBI:138631
UNII
74T693129Y
EC Number
211-115-2
Nikkaji
J96.096I

Properties

Computed structural properties

XLogP
7.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
15
Heavy atoms
18

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
SpringerMaterials PropertiesBoiling point
Melting Point36 °C
Physical DescriptionSolid

Physicochemical properties

Melting point
34 to · 34.0 to 39.0 °C
Boiling point
318 °C · 318°C(lit.)
Density
0.8233 · 0.8233 (estimate)
refractive index
1.4484 · 1.4484 (estimate)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility
Acetonitrile (Slightly, Sonicated), Chloroform (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (50%)

Safety data

rtecs
MI3210000
hs_code
2912.19.5000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular
Applications · 1 item

Usesn-Heptadecanal is one of the volatile components in the essential oil extracts of yaka, a type of tobacco that is native to Bulgaria. n-Heptadecanal is also one of the volatile components from the leaf extracts of Rhus typhina, a plant that displays insecticidal activity towards aphids.

Upstream & downstream products

Upstream raw materials

Suppliers58 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 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.

Related reactions

1 records
New reaction record

Compound notes

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