Basic information
- CAS
67952-38-9- Standard SMILES
COc1ccc(CCC(C)O)cc1- InChIKey
UOACSUDCGMMDFW-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- Benzenepropanol, 4-methoxy-alpha-methyl-
- IUPAC
- 4-(4-methoxyphenyl)butan-2-ol
- English name
- 4-(p-methoxyphenyl)butan-2-ol
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
Benzenepropanol, 4-methoxy-.alpha.-methyl-4-(p-Methoxyphenyl)butan-2-olEINECS 267-891-8Benzenepropanol, 4-methoxy-alpha-methyl-DTXSID20887052NSC 406751RefChem:563658DTXCID101026367267-891-84-(4-methoxyphenyl)butan-2-ol67952-38-94-(p-Methoxyphenyl)-2-butanol
Show more names
Dobutamine 9Picaridin Impurity 134-(4-Methoxyphenyl)-2-butanol4-Methoxy-α-methylbenzenepropanolDobutamine hydrochloride impurity 144-Methoxy-α-methylbenzene-1-propanol1-Methyl-3-(4-methoxyphenyl)propyl alcohol
Dobutamine Impurity 64-(4-methoxy-phenyl)-butan-2-olMFCD08442945NSC406751SCHEMBL22381884-(4-Methoxyphenyl)-2-butanol #AKOS0001261544-Methoxy-OE+/--methylbenzenepropanol
Database identifiers
- CAS
67952-38-9- PubChem CID
- 101151
- DTXSID
DTXSID20887052- EC Number
- 267-891-8
- Nikkaji
- J317.274K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 107 °C · 107 °C(Press: 0.5 Torr)
- Density
- 1.042 g/cm3 · 1.042 g/cm3(Temp: 16 °C)
- pka
- 15.14 · 15.14±0.20(Predicted)
- LogP
- 2.14 · 2.140 (est)
- EPA Substance Registry System
- 4 · Benzenepropanol, 4-methoxy-.alpha.-methyl- (67952-38-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanol, 4-methoxy-.alpha.-methyl-: ACTIVE
Suppliers35 total
济南百隆化学有限公司[email protected] · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Related reactions
1 records
Compound notes
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