CAS 104-45-0|4-n-propylanisole

Introduction：Basic information about CAS 104-45-0|4-n-propylanisole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Customs
6. Articles2
7. Synonyms

Common Name	4-n-propylanisole
CAS Number	104-45-0	Molecular Weight	150.21800
Density	0.941 g/mL at 25 °C(lit.)	Boiling Point	215 °C(lit.)
Molecular Formula	C₁₀H₁₄O	Melting Point	45-46℃
MSDS	ChineseUSA	Flash Point	194 °F

Names

Name	1-methoxy-4-propylbenzene
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.941 g/mL at 25 °C(lit.)
Boiling Point	215 °C(lit.)
Melting Point	45-46℃
Molecular Formula	C₁₀H₁₄O
Molecular Weight	150.21800
Flash Point	194 °F
Exact Mass	150.10400
PSA	9.23000
LogP	2.64770
Vapour Pressure	0.266mmHg at 25°C
Index of Refraction	n20/D 1.504(lit.)
InChIKey	KBHWKXNXTURZCD-UHFFFAOYSA-N
SMILES	CCCc1ccc(OC)cc1
Storage condition	2-8℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BZ9450000

CHEMICAL NAME :: Anisole, p-propyl-

CAS REGISTRY NUMBER :: 104-45-0

BEILSTEIN REFERENCE NO. :: 2042121

LAST UPDATED :: 199712

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C10-H14-O

MOLECULAR WEIGHT :: 150.24

WISWESSER LINE NOTATION :: 3R DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4400 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 7300 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - effect, not otherwise specified Skin and Appendages - hair

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

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

MUTATION DATA

TEST SYSTEM :: Insect - Drosophila melanogaster

DOSE/DURATION :: 5 mmol/L

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,707,1983 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3235 No. of Facilities: 5465 (estimated) No. of Industries: 56 No. of Occupations: 65 No. of Employees: 139974 (estimated) No. of Female Employees: 75923 (estimated)

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
Hazard Codes	N: Dangerous for the environment;
Risk Phrases	R51/53
Safety Phrases	S61
RIDADR	UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
WGK Germany	2
RTECS	BZ9450000
HS Code	2909309090

Customs

HS Code	2909309090
Summary	2909309090 other aromatic ethers 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%

Articles2

The metabolic disposition of [methoxy-14C]-labelled trans-anethole, estragole and p-propylanisole in human volunteers.

Xenobiotica 17(10) , 1223-32, (1987)

1. The metabolic fates of the naturally occurring food flavours trans-anethole and estragole, and their synthetic congener p-propylanisole, have been investigated in human volunteers using the [methox...

The metabolism of p-propylanisole in the rat and mouse and its variation with dose.

Food Chem. Toxicol. 21(3) , 263-71, (1983)

We have studied the metabolism of the synthetic flavouring p-propylanisole in rats and mice and investigated the variation in its metabolism with dose. [methoxy-14C]-p-Propylanisole was given to femal...

Synonyms

4-methoxy-1-propyl-benzene

4-methoxy phenylpropane

EINECS 203-203-4

p-propyl anisole

p-n-Propylanisole

4-MeOC6H4CH2CH2CH3

4-n-Propylanisole

Benzene,1-methoxy-4-propyl

4-Propylanisole

MFCD00027121

Dihydroanethole

Anisole,p-propyl

methyl ether of p-propylbenzyl alcohol

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