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136-77-6

136-77-6 structure
136-77-6 structure
  • Name: 4-Hexylresorcinol
  • Chemical Name: 4-Hexyl-1,3-benzenediol
  • CAS Number: 136-77-6
  • Molecular Formula: C12H18O2
  • Molecular Weight: 194.270
  • Catalog: API Antiparasitic drug Anthelmintic
  • Create Date: 2018-08-26 21:56:15
  • Modify Date: 2024-01-02 19:08:40
  • Hexylresorcinol is an organic compound with local anaesthetic, antiseptic and anthelmintic properties, is a potent inhibitor of mushroom tyrosinase, causing 90% loss of activity at 100 μM.
Name 4-Hexyl-1,3-benzenediol
Synonyms Hexylresorcinol
4-Hexylresorcinol
MFCD00002284
1,3-Benzenediol, 4-hexyl-
4-hexylbenzene-1,3-diol
4-n-hexylresorcinol
4-Hexyl-1,3-benzenediol
4-Hexyl-1,3-dihydroxybenzene,4-Hexylresorcinol
EINECS 205-257-4
4-Hexylbenzol-1,3-diol
Description Hexylresorcinol is an organic compound with local anaesthetic, antiseptic and anthelmintic properties, is a potent inhibitor of mushroom tyrosinase, causing 90% loss of activity at 100 μM.
Related Catalog
Density 1.0±0.1 g/cm3
Boiling Point 329.5±12.0 °C at 760 mmHg
Melting Point 65-67 °C(lit.)
Molecular Formula C12H18O2
Molecular Weight 194.270
Flash Point 155.2±14.2 °C
Exact Mass 194.130676
PSA 40.46000
LogP 3.88
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.540
Stability Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.
Water Solubility 0.05 g/100 mL (18 ºC)

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VH1575000
CHEMICAL NAME :
Resorcinol, 4-hexyl-
CAS REGISTRY NUMBER :
136-77-6
BEILSTEIN REFERENCE NO. :
2048312
LAST UPDATED :
199701
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C12-H18-O2
MOLECULAR WEIGHT :
194.30
WISWESSER LINE NOTATION :
QR CQ D6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1040 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
335 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16250 mg/kg/13W-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32500 mg/kg/13W-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
64 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
5 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
18 ug/L
REFERENCE :
NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-330,1988
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R22;R36/37/38
Safety Phrases S26-S36-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS VH1575000
HS Code 29072900
3144-54-5 structure

3144-54-5

~69%

136-77-6 structure

136-77-6

Literature: Mizobuchi, Shigeyuki; Sato, Yuko Agricultural and Biological Chemistry, 1985 , vol. 49, # 5 p. 1327 - 1334
95-48-7 structure

95-48-7

108-46-3 structure

108-46-3

111-27-3 structure

111-27-3

~%

136-77-6 structure

136-77-6

Literature: US4108909 A1, ;
108-46-3 structure

108-46-3

~%

136-77-6 structure

136-77-6

Literature: Journal of the American Chemical Society, , vol. 59, p. 104
34686-76-5 structure

34686-76-5

~%

136-77-6 structure

136-77-6

Literature: Journal of the American Chemical Society, , vol. 59, p. 104
142-61-0 structure

142-61-0

~%

136-77-6 structure

136-77-6

Literature: Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, , vol. 365, p. 107 - 115
142-62-1 structure

142-62-1

~%

136-77-6 structure

136-77-6

Literature: Bioorganic and Medicinal Chemistry, , vol. 22, # 5 p. 1596 - 1607
HS Code 2907299090
Summary 2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

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