Basic information
- CAS
10411-92-4- Standard SMILES
CC(=O)OC1CCC(C(C)(C)C)CC1- InChIKey
MBZRJSQZCBXRGK-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Overview
4-tert-Butylcyclohexyl acetate is a carboxylic ester.
Names & identifiers
- Preferred name
- 4-tert-Butylcyclohexyl acetate
- IUPAC
- (4-tert-butylcyclohexyl) acetate
- English name
- cis-4-tert-butylcyclohexyl acetate
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
4-tert-Butylcyclohexyl acetate32210-23-44-tert-Butylcyclohexanol acetatep-tert-Butylcyclohexyl acetateCyclohexanol, 4-tert-butyl-, acetateCyclohexanol, 4-(1,1-dimethylethyl)-, acetateDTXSID102797421EUM2B8UCCyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetateDTXCID207974NSC-163103RefChem:526875
Show more names
woody acetateEinecs 233-881-7cis-woody acetate(1β,4β)-4-tert-Butylcyclohexyl=acetate(1α,4α)-4-tert-Butylcyclohexyl=acetateAcetic acid 4β-tert-butylcyclohexane-1β-yl esterAcetic acid 4α-tert-butylcyclohexane-1α-yl esterAcetic acid 4α-(tert-butyl)cyclohexan-1α-yl esterCyclohexanol, 4-(1,1-dimethylethyl)-, acetate, cis-
250-954-9Vertenex10411-92-4cis-4-tert-Butylcyclohexyl acetate(4-tert-butylcyclohexyl) acetatep-tert-Butyl cyclohexyl acetate4-t-Butylcyclohexyl acetate4-tert-Butylhexahydrophenyl acetate
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
SpringerMaterials PropertiesBoiling point
Fragrances
Fragrance Ingredient (4-tert-Butylcyclohexyl acetate) -> IFRA transparency List
Fragrance Ingredient (cis-4-tert-Butylcyclohexyl acetate) -> IFRA transparency List
Physical DescriptionCBI; Other Solid; Liquid; Dry Powder; Liquid
Physicochemical properties
- Boiling point
- 235 ℃[at · 235℃[at 101 325 Pa]
- Density
- 0.936 · 0.936[at 20℃]
- vapor pressure
- 7.9 Pa · 7.9Pa at 25℃
- Odor
- 100 % · at 100.00 %. fresh fruity floral pine
- Odor Type
- fruity
- Viscosity
- 8.4 mm2/s · 8.4mm2/s
- Water Solubility
- 4.16 mg/L · 4.16mg/L at 25℃
- LogP
- 4.8 at · 4.8 at 25℃
- FDA UNII
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 < 0.1% (1 of 2617) of reports.
Warning
H317 (80.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2617 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate, trans-
Chemical: Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate, cis-
Chemical: Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: cis-4-tert-butylcyclohexyl acetate (EC: 233-881-7)
REACH registered substance: 4-tert-butylcyclohexyl acetate (EC: 250-954-9)
Hazard Classes and Categories
Skin Sens. 1 (80.3%)
Acute Tox. 4 (27.5%)
Aquatic Chronic 2 (100%)
Skin sensitization - Category 1B
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesSolvent
Household Products
Information on 2 consumer products that contain 4-tert-Butylcyclohexyl acetate, cis- in the following categories is provided:
Information on 339 consumer products that contain 4-Tert-Butylcyclohexyl Acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate, trans-: ACTIVE
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate, cis-: ACTIVE
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate: ACTIVE
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…