Basic information
- CAS
1200-09-5- Standard SMILES
CC(C)=CCc1ccc(O)cc1- InChIKey
CBUZIDRVPSPPOE-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 4-(3-Methylbut-2-enyl)phenol
- IUPAC
- 4-(3-methylbut-2-enyl)phenol
- English name
- 4-(3-methylbut-2-enyl)phenol
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
4-(3-methylbut-2-enyl)phenolRefChem:513346686-822-61200-09-54-(3-methylbut-2-en-1-yl)phenolPHENOL, p-(3-METHYL-2-BUTENYL)-Phenol, 4-(3-methyl-2-butenyl)-p-(3-Methyl-2-butenyl)phenol4-(3-Methyl-2-butenyl)phenolNSC 407855BRN 1931271p-prenylphenol
Show more names
Phenol, 4-(3-methyl-2-buten-1-yl)-
AI3-22827NSC4078554-(3-Methylcrotyl)phenolEC 686-822-6WLN: QR D2UY1&14-(3,3-Dimethylallyl)phenolSCHEMBL1153975SCHEMBL5167146
Database identifiers
- CAS
1200-09-5- PubChem CID
- 14543
- DTXSID
DTXSID60152650- EC Number
- 686-822-6、918-528-3
- Nikkaji
- J40.738K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
- REACH Registrations
- Active
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 Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 4-(3-methylbut-2-enyl)phenol (EC: 686-822-6)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H314
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
4 records
Compound notes
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