Basic information
- CAS
3056-64-2- Standard SMILES
CC(=O)Oc1ccc(C(C)(C)C)cc1- InChIKey
FSALNWWFUMHOAU-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Phenol, 4-(1,1-dimethylethyl)-, 1-acetate
- IUPAC
- (4-tert-butylphenyl) acetate
- English name
- ACETIC ACID 4-TERT-BUTYLPHENYL ESTER
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
3056-64-24-tert-Butylphenol acetatep-tert-Butylphenyl acetatePhenol, 4-(1,1-dimethylethyl)-, 1-acetatePhenol, 4-(1,1-dimethylethyl)-, acetateAI3-18022NSC 6839EINECS 221-288-6DTXSID50883941RefChem:861188DTXCID101023418221-288-6
Show more names
p-tert-Butylphenol acetateaceticacidbutylphenylesterPhenyl Acetate Impurity 91(4-tert-butylphenyl) ethanoatepara-tert-butyl phenyl acetate4-tert-Butylphenyl Acetate >4-tert-Butylphenyl Acetate
4-tert-Butylphenyl acetate4-(tert-Butyl)phenyl acetateAcetic Acid 4-tert-Butylphenyl Ester(4-tert-butylphenyl) acetateMFCD00026308NSC-6839Acetic acid p-tert-butylphenyl ester4-t-butylphenyl acetate
Database identifiers
- CAS
3056-64-2- PubChem CID
- 76463
- DTXSID
DTXSID50883941- ChEMBL
CHEMBL503707- UNII
- JGF8N2D4JB
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 245 °C · 245 °C
- Density
- 1 · 1.00
- refractive index
- 1.495 · 1.4950-1.4980
- form
- clear liquid
- color
- Colorless to Light yellow
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.852 · 3.852 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 N2D4JB · JGF8N2D4JB
- EPA Substance Registry System
- 4 · 4-tert-Butylphenol acetate (3056-64-2)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 334 · H334
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
This chemical does not meet GHS hazard criteria for 69.5% (89 of 128) of all reports.
Danger
H334 (30.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 128 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Phenol, 4-(1,1-dimethylethyl)-, acetate
Other Safety InformationIMAP assessments - Phenol, 4-(1,1-dimethylethyl)-, acetate: Human health tier I assessment
Hazard Classes and CategoriesResp. Sens. 1 (30.5%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H334
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-(1,1-dimethylethyl)-, 1-acetate: INACTIVE
Suppliers31 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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