Cyclohexene-1-yl acetate

HCID 74019CAS 1424-22-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)OC1=CCCCC1
InChIKey
DRJNNZMCOCQJGI-UHFFFAOYSA-N
Molecular formula
C8H12O2
Average molar mass
140.18 g/mol
Monoisotopic mass
140.08372962

Names & identifiers

Preferred name
Cyclohexene-1-yl acetate
IUPAC
cyclohexen-1-yl acetate
English name
1-Cyclohexenyl acetate
Molecular formula
C8H12O2
Molecular weight
140.18

Names & synonyms

1-Cyclohexenyl acetate1424-22-21-Acetoxycyclohexene1-Cyclohexen-1-yl acetateCyclohexen-1-ol acetate1-Acetoxy-1-cyclohexeneCyclohexene-1-yl acetate1-CYCLOHEXEN-1-OL, ACETATEFHZ4PS0MLNEINECS 215-838-4NSC 18899NSC-18899
Show more names
2-Acetoxy-1-cyclohexenecyclohexen-1-yl acetateCyclohexene-1-ol acetatecyclohexen-1-yl ethanoate
ACETIC ACID 1-CYCLOHEXENYL ESTERDTXSID401620301-(ACETYLOXY)-1-CYCLOHEXENE1-CYCLOHEXEN-1-OL, 1-ACETATERefChem:580788DTXCID40845211-Cyclohexen-1-ol, acetate (8CI)1-Cyclohexen-1-ol, acetate (8CI)(9CI)

Database identifiers

CAS
1424-22-2
PubChem CID
74019
DTXSID
DTXSID40162030
UNII
FHZ4PS0MLN
EC Number
215-838-4
Nikkaji
J145.931G

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Boiling point
76 · 76-77 °C17 mm Hg(lit.)
Density
0.998 g/mL · 0.998 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.458(lit.)
Flash point
150 °F · 150 °F
Sensitive
Moisture Sensitive
BRN
878815 · 878815

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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 Information1-Cyclohexen-1-ol, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory Information1-Cyclohexen-1-ol, acetate: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk
3
safety_code
23-24/25
Hazard statements
H227
Precautionary statements
P210e-P280a-P370+P378a-P403+P235-P501a

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers15 total

重庆欣博曜生物科技有限公司19122915778 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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