Anisole

Modify Date: 2025-08-20 12:35:48

Anisole structure	Common Name	Anisole
	CAS Number	100-66-3	Molecular Weight	108.138
	Density	1.0±0.1 g/cm3	Boiling Point	153.6±0.0 °C at 760 mmHg
	Molecular Formula	C₇H₈O	Melting Point	-37 °C
	MSDS	Chinese USA	Flash Point	51.7±0.0 °C
	Symbol	GHS02	Signal Word	Warning

Name	anisole
Synonym	More Synonyms

Density	1.0±0.1 g/cm3
Boiling Point	153.6±0.0 °C at 760 mmHg
Melting Point	-37 °C
Molecular Formula	C₇H₈O
Molecular Weight	108.138
Flash Point	51.7±0.0 °C
Exact Mass	108.057518
PSA	9.23000
LogP	2.13
Vapour density	3.7 (vs air)
Vapour Pressure	4.2±0.2 mmHg at 25°C
Index of Refraction	1.492
InChIKey	RDOXTESZEPMUJZ-UHFFFAOYSA-N
SMILES	COc1ccccc1
Stability	Stable. Flammable. Incompatible with strong oxidizing agents.
Water Solubility	1.6 g/L (20 ºC)

Anisole MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BZ8050000

CHEMICAL NAME :: Anisole

CAS REGISTRY NUMBER :: 100-66-3

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C7-H8-O

MOLECULAR WEIGHT :: 108.15

WISWESSER LINE NOTATION :: 1OR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3700 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - hematuria

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5000 mg/m3

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 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 :: 2800 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3021 mg/m3/2H

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

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 25 umol/L

REFERENCE :: RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 54,133,1986 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1533 No. of Facilities: 4 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 469 (estimated)

Symbol	GHS02
Signal Word	Warning
Hazard Statements	H226
Supplemental HS	Repeated exposure may cause skin dryness or cracking.
Precautionary Statements	P210-P370 + P378
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful
Risk Phrases	R10;R20;R38
Safety Phrases	S37/39-S26-S16-S24/25
RIDADR	UN 2222 3/PG 3
WGK Germany	2
RTECS	BZ8050000
Packaging Group	III
Hazard Class	3

Precursor 0
DownStream 10
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Polyethylene Glycol Coatings on Plastic Substrates for Chemically Defined Stem Cell Culture.

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Human mesenchymal stem cells (hMSCs) are a widely available and clinically relevant cell type with a host of applications in regenerative medicine. Current clinical expansion methods can lead to selec...

The ionization mechanisms in direct and dopant-assisted atmospheric pressure photoionization and atmospheric pressure laser ionization.

J. Am. Soc. Mass Spectrom. 25(11) , 1870-81, (2014)

A novel, gas-tight API interface for gas chromatography-mass spectrometry was used to study the ionization mechanism in direct and dopant-assisted atmospheric pressure photoionization (APPI) and atmos...

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Name: Permeability coefficient in human skin
Source: ChEMBL
Target: Skin
External Id: CHEMBL926551

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Target: N/A
External Id: CHEMBL949565

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Source: ChEMBL
Target: Carbonic anhydrase 4
External Id: CHEMBL2045823

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Source: ChEMBL
Target: N/A
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Name: Hexadecane-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL949566

Name: Protective activity against Daboia russellii venom-induced hemorrhage in intradermall...
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Target: N/A
External Id: CHEMBL3789855

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Source: ChEMBL
Target: N/A
External Id: CHEMBL3789854

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Total 46, Current Page 1 of 5

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Anisole

Benzene, methoxy

4-methoxybenzene

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MFCD00008354

Benzene,methoxy

Anisole,AcroSeal,Extra Dry

Anisol

methoxy benzene

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Anisole
Price: Check
Purity: 99.9%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

GL Biochem (Shanghai) Ltd.
China
Product Name: Anisole
Price: ￥Inquiry/1kg
Purity: 98.0%
Delivery: Inquiry
Contact: Jackie Yang
Email: ymbetter@glbiochem.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Anisole
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Anisole
Price: ￥68.0/500ml
Purity: 99.0%
Delivery: Inquiry
Contact: Liu jia
Email: 2130147988@qq.com

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Anisole

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Precursor & DownStream

Articles57

AnisoleBioassay

Synonyms

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.