13037-86-0

13037-86-0 structure

Name: 4-(Heptyloxy)phenol
Chemical Name: 4-Heptyloxyphenol
CAS Number: 13037-86-0
Molecular Formula: C₁₃H₂₀O₂
Molecular Weight: 208.297
Catalog: Chemical reagent Organic reagent Phenols
Create Date: 2018-03-10 08:00:00
Modify Date: 2024-01-02 16:39:28
4-Heptyloxyphenol (p-(heptyloxy)phenol) has antibacterial activity agaisnt P. gingivalis, S. artemidis, Str. sobrinus (MIC: 0.10, 0.21, 0.14 mM)[1].

Name	4-Heptyloxyphenol
Synonyms	4-(Heptyloxy)benzolol 4-heptoxyphenol 4-(Heptyloxy)phenol MFCD00002338 Hydroquinone Monoheptyl Ether Phenol, 4-(heptyloxy)- EINECS 206-736-0 4-(Heptyloxy)phenol (9CI)

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.

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

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

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

629-04-9

123-31-9

~38%

13037-86-0

Literature: Chin, E.; Goodby, J. W. Molecular Crystals and Liquid Crystals (1969-1991), 1986 , vol. 141, p. 311 - 320

123-31-9

13037-86-0

Literature: US1883952 , ; Journal of the American Chemical Society, , vol. 54, p. 298,303, 304

111-70-6

123-31-9

~8%

13037-86-0

Literature: Rybin, A. G.; Orlov, A. V.; Zil'berman, E. N.; Barskova, M. Z. Journal of Organic Chemistry USSR (English Translation), 1991 , vol. 27, # 9.1 p. 1609 - 1611 Zhurnal Organicheskoi Khimii, 1991 , vol. 27, # 9 p. 1828 - 1831

111-70-6

13037-86-0

Literature: Molecular crystals and liquid crystals, , vol. 88, # 1-4 p. 81 - 86

Precursor 3
629-04-9 123-31-9 111-70-6
DownStream 3
62554-43-2 62716-69-2 38454-39-6

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%

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