3,7-DIMETHYLOCTANAL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H20O
Molecular Weight	156.2652
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,7-DIMETHYLOCTANAL

Structure Search

SMILES

CC(C)CCCC(C)CC=O

InChI

InChIKey=UCSIFMPORANABL-UHFFFAOYSA-N

InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h8-10H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C10H20O
Molecular Weight	156.2652
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

PubMed

Title	Date	PubMed
Dynamic supramolecular polymers based on benzene-1,3,5-tricarboxamides: the influence of amide connectivity on aggregate stability and amplification of chirality.	2010 Jan 18	20025000

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:50:39 GMT 2023` Edited by `admin` on `Fri Dec 15 19:50:39 GMT 2023`
Record UNII	F32WFZ5HGW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,7-DIMETHYLOCTANAL

Systematic Name

English

3,7-DIMETHYLOCTANAL [FHFI]

Common Name

English

TETRAHYDROGERANIAL

Common Name

English

OCTANAL, 3,7-DIMETHYL-

Systematic Name

English

DIHYDROCITRONELLAL

Common Name

English

(±)-3,7-DIMETHYLOCTANAL

Systematic Name

English

3,7-DIMETHYLOCTANAL, (±)-

Systematic Name

English

FEMA NO. 4348

Code

English

Classification Tree Code System Code

JECFA EVALUATION

3,7-DIMETHYLOCTANAL

Created by admin on Fri Dec 15 19:50:40 GMT 2023 , Edited by admin on Fri Dec 15 19:50:40 GMT 2023

Code System Code Type Description

FDA UNII

F32WFZ5HGW

Created by admin on Fri Dec 15 19:50:40 GMT 2023 , Edited by admin on Fri Dec 15 19:50:40 GMT 2023

PRIMARY

CAS

5988-91-0

Created by admin on Fri Dec 15 19:50:40 GMT 2023 , Edited by admin on Fri Dec 15 19:50:40 GMT 2023

PRIMARY

JECFA MONOGRAPH

2150

Created by admin on Fri Dec 15 19:50:40 GMT 2023 , Edited by admin on Fri Dec 15 19:50:40 GMT 2023

PRIMARY

ECHA (EC/EINECS)

227-810-9

Created by admin on Fri Dec 15 19:50:40 GMT 2023 , Edited by admin on Fri Dec 15 19:50:40 GMT 2023

PRIMARY

PUBCHEM

110747

Created by admin on Fri Dec 15 19:50:40 GMT 2023 , Edited by admin on Fri Dec 15 19:50:40 GMT 2023

PRIMARY

DAILYMED

F32WFZ5HGW

Created by admin on Fri Dec 15 19:50:40 GMT 2023 , Edited by admin on Fri Dec 15 19:50:40 GMT 2023

PRIMARY

EPA CompTox

DTXSID4044826

Created by admin on Fri Dec 15 19:50:40 GMT 2023 , Edited by admin on Fri Dec 15 19:50:40 GMT 2023

PRIMARY

RXCUI

1311602

Created by admin on Fri Dec 15 19:50:40 GMT 2023 , Edited by admin on Fri Dec 15 19:50:40 GMT 2023

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RxNorm