CSIR CIMAP AROMA | Compound Details

Tetradecane Details

: IUPAC Name

tetradecane

:Chemical Class

Alkane

:CAS Registry Number

629-59-4

:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID	12389
Molecular Weight (g/mol)	198.388
Molecular Formula	C14H30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	11
IUPAC Name	tetradecane
Canonical SMILES	CCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEY	BGHCVCJVXZWKCC-UHFFFAOYSA-N
Solubility Level	2
Vapour Pressure	-2.111

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	0
BBB Level	0
Absorption Level	2
EXT PPB#Prediction	1
AlogP98	6.758
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	8.41843 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction	Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Severe
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Cas No	Gene Symbol	Organism	Interaction	Interaction Actions	PubMed Id
1	629-59-4	ACSL4	Rattus norvegicus	n-tetradecane results in increased expression of ACSL4 protein	increases^expression	17337753
2	629-59-4	ARC	Rattus norvegicus	n-tetradecane results in increased expression of ARC protein	increases^expression	17337753
3	629-59-4	AREG	Rattus norvegicus	n-tetradecane results in increased expression of AREG protein	increases^expression	17337753
4	629-59-4	ATP1A2	Rattus norvegicus	n-tetradecane results in decreased expression of ATP1A2 protein	decreases^expression	17337753
5	629-59-4	C1S	Rattus norvegicus	n-tetradecane results in decreased expression of C1S protein	decreases^expression	17337753
6	629-59-4	CCR1	Rattus norvegicus	n-tetradecane results in decreased expression of CCR1 protein	decreases^expression	17337753
7	629-59-4	CLEC10A	Rattus norvegicus	n-tetradecane results in decreased expression of CLEC10A protein	decreases^expression	17337753
8	629-59-4	COL5A1	Rattus norvegicus	n-tetradecane results in decreased expression of COL5A1 protein	decreases^expression	17337753
9	629-59-4	CPA3	Rattus norvegicus	n-tetradecane results in decreased expression of CPA3 protein	decreases^expression	17337753
10	629-59-4	CPZ	Rattus norvegicus	n-tetradecane results in decreased expression of CPZ protein	decreases^expression	17337753
11	629-59-4	CTSH	Rattus norvegicus	n-tetradecane results in decreased expression of CTSH protein	decreases^expression	17337753
12	629-59-4	CTSK	Rattus norvegicus	n-tetradecane results in decreased expression of CTSK protein	decreases^expression	17337753
13	629-59-4	CXCL1	Rattus norvegicus	n-tetradecane results in increased expression of CXCL1 protein	increases^expression	17337753
14	629-59-4	CXCL2	Rattus norvegicus	n-tetradecane results in increased expression of CXCL2 protein	increases^expression	17337753
15	629-59-4	CXCL8	Homo sapiens	n-tetradecane results in increased expression of and results in increased secretion of CXCL8 protein	increases^expression\|increases^secretion	19720135
16	629-59-4	CYR61	Rattus norvegicus	n-tetradecane results in increased expression of CYR61 protein	increases^expression	17337753
17	629-59-4	DAB2	Rattus norvegicus	n-tetradecane results in decreased expression of DAB2 protein	decreases^expression	17337753
18	629-59-4	EMP3	Rattus norvegicus	n-tetradecane results in decreased expression of EMP3 protein	decreases^expression	17337753
19	629-59-4	FBN1	Rattus norvegicus	n-tetradecane results in decreased expression of FBN1 protein	decreases^expression	17337753
20	629-59-4	FCNA	Rattus norvegicus	n-tetradecane results in decreased expression of FCNA protein	decreases^expression	17337753
21	629-59-4	FOSL1	Rattus norvegicus	n-tetradecane results in increased expression of FOSL1 protein	increases^expression	17337753
22	629-59-4	GPX3	Rattus norvegicus	n-tetradecane results in decreased expression of GPX3 protein	decreases^expression	17337753
23	629-59-4	HOMER1	Rattus norvegicus	n-tetradecane results in increased expression of HOMER1 protein	increases^expression	17337753
24	629-59-4	IGF1	Rattus norvegicus	n-tetradecane results in decreased expression of IGF1 protein	decreases^expression	17337753
25	629-59-4	IGFBP6	Rattus norvegicus	n-tetradecane results in decreased expression of IGFBP6 protein	decreases^expression	17337753
26	629-59-4	IL1A	Homo sapiens	n-tetradecane results in increased expression of and results in increased secretion of IL1A protein	increases^expression\|increases^secretion	19720135
27	629-59-4	IL6	Homo sapiens	n-tetradecane results in increased expression of and results in increased secretion of IL6 protein	increases^expression\|increases^secretion	19720135
28	629-59-4	LGALS1	Rattus norvegicus	n-tetradecane results in decreased expression of LGALS1 protein	decreases^expression	17337753
29	629-59-4	LYZ	Rattus norvegicus	n-tetradecane results in decreased expression of LYZ protein	decreases^expression	17337753
30	629-59-4	MCPT1	Rattus norvegicus	n-tetradecane results in decreased expression of MCPT1 protein	decreases^expression	17337753
31	629-59-4	NR4A2	Rattus norvegicus	n-tetradecane results in increased expression of NR4A2 protein	increases^expression	17337753
32	629-59-4	PCOLCE	Rattus norvegicus	n-tetradecane results in decreased expression of PCOLCE protein	decreases^expression	17337753
33	629-59-4	PTGS2	Rattus norvegicus	n-tetradecane results in increased expression of PTGS2 protein	increases^expression	17337753
34	629-59-4	RHOB	Rattus norvegicus	n-tetradecane results in increased expression of RHOB protein	increases^expression	17337753
35	629-59-4	TMEM176B	Rattus norvegicus	n-tetradecane results in decreased expression of TMEM176B protein	decreases^expression	17337753
36	629-59-4	TNF	Rattus norvegicus	n-tetradecane results in increased expression of TNF protein	increases^expression	15451557
37	629-59-4	WISP2	Rattus norvegicus	n-tetradecane results in decreased expression of WISP2 protein	decreases^expression	17337753

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				629-59-4	Tetradecane

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil
1	Lavendula angustifolia	Sher-e-Kashmir	Lavandula angustifolia sher-e-Kashmir essential oil
2	Periwinkle, Sadabahar, Sadafuli	Dhawal	Catharanthus roseus dhawal essential oil
3	Periwinkle, Sadabahar, Sadafuli	Nirmal	Catharanthus roseus nirmal essential oil
4	Snowbell		styrax officinalis essential oil
5	Mexican pepperleaf		Piper auritum essential oil
6	Mexican pepperleaf		Piper auritum essential oil
7	Java cotton		Ceiba pentandra essential oil

Print Back

Compound Image

2D Structure

Download

Download Sdf File Download PDB File Download MOL File

View Similar Structures (External DB)

AromaDb: A Database of Plant's Aroma Molecules

AROMA: A Database of Plant's Aroma Molecules