Phenol, 4-(4,4-dimethyl-3-hydroxy-1-pentenyl)-2-methoxy-

Modify Date: 2025-08-26 11:09:58

Phenol, 4-(4,4-dimethyl-3-hydroxy-1-pentenyl)-2-methoxy- structure	Common Name	Phenol, 4-(4,4-dimethyl-3-hydroxy-1-pentenyl)-2-methoxy-
	CAS Number	58344-42-6	Molecular Weight	236.30700
	Density	1.089g/cm3	Boiling Point	379.1ºC at 760 mmHg
	Molecular Formula	C₁₄H₂₀O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	183.1ºC

Name	4-[(E)-3-hydroxy-4,4-dimethylpent-1-enyl]-2-methoxyphenol
Synonym	More Synonyms

Density	1.089g/cm3
Boiling Point	379.1ºC at 760 mmHg
Molecular Formula	C₁₄H₂₀O₃
Molecular Weight	236.30700
Flash Point	183.1ºC
Exact Mass	236.14100
PSA	49.69000
LogP	2.82100
Index of Refraction	1.565
InChIKey	KZMOPPALPUQHAR-SOFGYWHQSA-N
SMILES	COc1cc(C=CC(O)C(C)(C)C)ccc1O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL1970000

CHEMICAL NAME :: Phenol, 4-(4,4-dimethyl-3-hydroxy-1-pentenyl)-2-methoxy-

CAS REGISTRY NUMBER :: 58344-42-6

LAST UPDATED :: 199806

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H20-O3

MOLECULAR WEIGHT :: 236.34

WISWESSER LINE NOTATION :: 1X1&1&YQ1U1R DQ CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 13,41,1978

HS Code	2909500000

1-(4-Hydroxy-3-...

CAS#:58344-27-7

Phenol, 4-(4,4-...

CAS#:58344-42-6

Literature: Astoin; Marivain; Riveron; et al. European Journal of Medicinal Chemistry, 1978 , vol. 13, # 1 p. 41 - 47

Pinacolone

CAS#:75-97-8

Phenol, 4-(4,4-...

CAS#:58344-42-6

Literature: Astoin; Marivain; Riveron; et al. European Journal of Medicinal Chemistry, 1978 , vol. 13, # 1 p. 41 - 47

Vanillin

CAS#:121-33-5

Phenol, 4-(4,4-...

CAS#:58344-42-6

Literature: Astoin; Marivain; Riveron; et al. European Journal of Medicinal Chemistry, 1978 , vol. 13, # 1 p. 41 - 47

Precursor 3
CAS#:58344-27-7 1-(4-Hydroxy-3-... CAS#:75-97-8 Pinacolone CAS#:121-33-5 Vanillin
DownStream 0

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%

4-Hydroxy Stiripentol

p-Hydroxy Stiripentol

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Phenol, 4-(4,4-dimethyl-3-hydroxy-1-pentenyl)-2-methoxy-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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Synthetic Route

Precursor & DownStream

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.