Basic information
- CAS
3698-28-0- Standard SMILES
C=CCc1ccccc1OC- InChIKey
BCINBJDCXBFCDT-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 2-Allylanisole
- IUPAC
- 1-methoxy-2-prop-2-enylbenzene
- English name
- O-ALLYLANISOLE
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
2-AllylanisoleRefChem:462900624-186-33698-28-01-allyl-2-methoxybenzene3-(2-METHOXYPHENYL)-1-PROPENE1-methoxy-2-prop-2-enylbenzene1-methoxy-2-(prop-2-en-1-yl)benzeneO-ALLYLANISOLEMFCD00272573Benzene, 1-methoxy-2-(2-propenyl)-NSC99745
Show more names
2-Allylanisole 96%1-methoxy-2-prop-2-enyl-benzene1-Methoxy-2-(2-propen-1-yl)benzeneBenzene, 1-methoxy-2-(2-propen-1-yl)-1-methoxy-2-(prop-2-en-1-yl)benzene - [AC79868]
2-Allylanisole, 96%AI3-17969NCIOpen2_002051SCHEMBL592331SCHEMBL2093909SCHEMBL2301007SCHEMBL4025062SCHEMBL8693298
Database identifiers
- CAS
3698-28-0- PubChem CID
- 97101
- DTXSID
DTXSID30190468- EC Number
- 624-186-3
- Nikkaji
- J141.461E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 101 · 101-102 °C(Press: 22 Torr)
- Density
- 0.962 g/mL · 0.962 g/mL at 25 °C
- Flash point
- 76 ℃ · 76℃
- form
- liquid
- InChI
- 1S/C10H12O/c1-3-6-9-7-4-5-8-10(9)11-2/h3-5,7-8H,1,6H2,2H3
- InChIKey
- BCINBJDCXBFCDT-UHFFFAOYSA-N
- SMILES
- COc1ccccc1CC=C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers22 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海丸全化学科技有限公司18721745940 · [email protected]
合肥博美生物科技有限责任公司13739298932 13856598764 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
河南伊诺凯新材料有限公司18836288690 18836288690 · [email protected]
Aladdin Scientific[email protected]
黑龙江乌苏里江制药有限公司迎春分公司15545570712 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Related reactions
4 records
Compound notes
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