4-(Heptyloxy)phenol

Names

[ Name ]:
4-(Heptyloxy)phenol

[Synonym ]:
4-(Heptyloxy)benzolol
4-heptoxyphenol
4-(Heptyloxy)phenol
MFCD00002338
Hydroquinone Monoheptyl Ether
Phenol, 4-(heptyloxy)-
EINECS 206-736-0
4-(Heptyloxy)phenol (9CI)

Biological Activity

[Description]:

4-Heptyloxyphenol (p-(heptyloxy)phenol) has antibacterial activity agaisnt P. gingivalis, S. artemidis, Str. sobrinus (MIC: 0.10, 0.21, 0.14 mM)[1].

[Related Catalog]:

Research Areas >> Infection

Signaling Pathways >> Anti-infection >> Bacterial

[References]

[1]. Stuart Shapiro, et al. Inhibition of Oral Bacteria by Phenolic Compounds. Part 1. QSAR Analysis using Molecular Connectivity. Molecular informatics. Volume17, Issue04. August 1998. Pages 327-337.

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
325.3±15.0 °C at 760 mmHg

[ Melting Point ]:
60-63 °C(lit.)

[ Molecular Formula ]:
C₁₃H₂₀O₂

[ Molecular Weight ]:
208.297

[ Flash Point ]:
144.8±5.3 °C

[ Exact Mass ]:
208.146332

[ PSA ]:
29.46000

[ LogP ]:
4.50

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.506

[ Storage condition ]:
Store at +4°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL4860000

CHEMICAL NAME :: Phenol, p-(heptyloxy)-

CAS REGISTRY NUMBER :: 13037-86-0

BEILSTEIN REFERENCE NO. :: 1871129

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C13-H20-O2

MOLECULAR WEIGHT :: 208.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1 gm/kg

SEX/DURATION :: female 11 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

REFERENCE :: TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 41,43,1990

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
SL4860000

[ HS Code ]:
2909500000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2909500000

[ Summary ]:
2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

J. Med. Chem. 48 , 5666-74, (2005)

We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular d...

The expression of Steroidogenic Factor-1 and its role in bovine steroidogenic ovarian cells during the estrus cycle and first trimester of pregnancy.

Anim. Reprod. Sci. , doi:10.1016/j.anireprosci.2013.01.008, (2013)

The orphan receptor Steroidogenic Factor-1 (SF-1, NR5A1), a member of the nuclear receptor superfamily, is present in fetal and adult steroidogenic tissues and also participates in the regulation of o...

The orphan nuclear receptor SF-1 is involved in the effect of PCBs, DDT, and DDE on the secretion of steroid hormones and oxytocin from bovine luteal cells during the estrous cycle in vitro.

Theriogenology 81(7) , 877-86, (2014)

The orphan receptor steroidogenic factor-1 (SF-1) is involved in the regulation of ovarian steroidogenesis in cows. It is hypothesized that estrogen-like chlorinated compounds might affect SF-1, and t...