4-Hexylresorcinol - CAS 136-77-6

Catalog:	BB008407
Product Name:	4-Hexylresorcinol
CAS:	136-77-6
Synonyms:	4-Hexyl-1,3-benzenediol; Resorcinol, 4-hexyl-; 1,3-Dihydroxy-4-hexylbenzene; 1-(2',4'-Dihydroxyphenyl)hexane; 4-(1-Hexyl)resorcinol; 4-Hexyl-1,3-dihydroxybenzene; 4-Hexylresorcine; 4-n-Hexylresorcinol; Adrover; Antascarin; Ascaricid; Ascarinol; Ascaryl; Caprokol; Crystoids; Cystoids Anthelmintic; EverFresh; Gelovermin; Hexylresorcinol; Hidesol; KOM 14; Mycoderm; NSC 1570; Oxana; p-Hexylresorcinol; Prensol; S.T. 37; Sucrets; Synovea HR; Worm-Agen
Application:	4-Hexylresorcinol could be commonly used as antioxidant, vermifuge and food additives.

Technical Data

IUPAC Name:	4-hexylbenzene-1,3-diol
Description:	4-Hexylresorcinol, a phenol derivative, could be commonly used as an antioxidant, vermifuge and food additive. By acting on multiple targets of the melanin synthesis pathway, 4-hexylresorcinol can effectively inhibit melanin synthesis, thus achieving whitening and brightening effect. It is a super powerful antioxidant that effectively removes harmful free radicals from the skin and fights aging and wrinkles caused by free radicals.
Molecular Weight:	194.27
Molecular Formula:	C12H18O2
Canonical SMILES:	CCCCCCC1=C(C=C(C=C1)O)O
InChI:	InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
InChI Key:	WFJIVOKAWHGMBH-UHFFFAOYSA-N
Boiling Point:	178-180°C at 6.7 Torr
Melting Point:	67.5-69°C
Flash Point:	155.2°C
Purity:	>95%
Density:	1.049±0.06 g/cm3
Solubility:	Soluble in DMSO
Appearance:	Pale-yellow viscous liquid (that becomes solid on standing at room temperature) or a peach colored powder. pungent faintly fatty odor. sharp astringent taste.
Storage:	Store at 2-8°C
MDL:	MFCD00002284
LogP:	3.22060
Refractive Index:	1.5101 (77°C)
Stability:	Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.
Vapor Pressure:	0.00000845 [mmHg]

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113502016-A	TPO (thermoplastic polyolefin) elastomer sealing material with oxygen absorption function	20210715
CN-113499281-A	Stable suspension system, preparation method thereof and cosmetic	20210712
CN-113317245-A	Method for regulating and controlling generation of pearl sac of pearl-breeding mussel and method for producing pearl	20210630
CN-113368003-A	Composition with overnight muscle repairing effect and preparation method and application thereof	20210625
CN-113337411-A	Method for producing extracellular polysaccharide by fermenting coconut water with Stardatorula and polysaccharide separation and purification method thereof	20210615

PMID	Publication Date	Title	Journal
28930240	20170501	Anti-Bacterial Activity of Phenolic Compounds against Streptococcus pyogenes	Medicines (Basel, Switzerland)
28280379	20170101	Amylmetacresol/2,4-dichlorobenzyl alcohol, hexylresorcinol, or carrageenan lozenges as active treatments for sore throat	International journal of general medicine
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22885403	20121101	Effects of known phenoloxidase inhibitors on hemocyanin-derived phenoloxidase from Limulus polyphemus	Comparative biochemistry and physiology. Part B, Biochemistry & molecular biology
22664654	20120801	4-hexylresorcinol stimulates the differentiation of SCC-9 cells through the suppression of E2F2, E2F3 and Sp3 expression and the promotion of Sp1 expression	Oncology reports

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.130679813
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	194.130679813
Rotatable Bond Count:	5
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5