Basic information
- CAS
22618-23-1- Standard SMILES
CC(=O)Oc1ccc(C)c(C)c1- InChIKey
ZFIOOTIKKICLOR-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 3,4-Xylyl acetate
- IUPAC
- (3,4-dimethylphenyl) acetate
- English name
- 3,4-xylyl acetate
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
3,4-Xylyl acetate22618-23-1Phenol, 3,4-dimethyl-, acetateRZ73CN38JTEINECS 245-129-54-ACETOXY-O-XYLENEAI3-200163,4-dimethyl-1-acetoxybenzeneDTXSID10177136RefChem:486443DTXCID8099627245-129-5
Show more names
AI320016AI3 200163,4-Dimethylphenol acetatePhenol, 3,4-dimethyl-, 1-acetateAcetic acid 3,4-dimethylphenyl ester
3,4-Dimethylphenyl acetate(3,4-dimethylphenyl) acetate3,4-DimethylphenylacetateUNII-RZ73CN38JTSCHEMBL8628513,4-Dimethylphenyl acetate #orb1986743SCHEMBL22263655
Database identifiers
- CAS
22618-23-1- PubChem CID
- 89773
- DTXSID
DTXSID10177136- UNII
- RZ73CN38JT
- EC Number
- 245-129-5
- Nikkaji
- J286.260C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 22 °C · 22°C
- Boiling point
- 235 °C · 235°C (estimate)
- Density
- 1.0326 · 1.0326 (rough estimate)
- refractive index
- 1.507 · 1.5070 (estimate)
- Water Solubility
- 10 mg/L · 10mg/L at 20℃
- LogP
- 2.9 · 2.9
- FDA UNII
- 73 CN38JT · RZ73CN38JT
- Symbol(GHS)
- 9 · GHS09,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 314 · H314-H411-H301-H311
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-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
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 20-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32957
Hazard Classes and CategoriesAcute Tox. 3 (66.7%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS05,GHS06
- Hazard statements
- H314-H411-H301-H311
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
天津安浩生物科技有限公司[email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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