Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-

HCID 99843
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Basic information

CAS
474-09-9
Standard SMILES
CC1(C)C2CCC(C2)C1C(=O)O
InChIKey
KJKODDSNIDHCKV-UHFFFAOYSA-N
Molecular formula
C10H16O2
Average molar mass
168.23 g/mol
Monoisotopic mass
168.11502975

Names & identifiers

Preferred name
Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
IUPAC
3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
English name
3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
Molecular formula
C10H16O2
Molecular weight
168.23

Names & synonyms

52557-98-93,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acidEINECS 258-006-6Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-NSC 239115DTXSID60886009Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acidRefChem:568157DTXCID501025359258-006-6474-10-2
Show more names
474-09-9EINECS 207-479-7EINECS 207-480-2NSC2391153,3-dimethylbicyclo[2.2.1]heptane-2-carboxylicacidSCHEMBL6551752endo-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acidexo-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acid

Database identifiers

CAS
474-09-9、474-10-2、52557-98-9
PubChem CID
99843
DTXSID
DTXSID60886009
EC Number
207-479-7、207-480-2、258-006-6
Nikkaji
J295.695K

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

EPA Substance Registry System
2.2 · Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl- (52557-98-9)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H315-H302-H335
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
TSCA
TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H315-H302-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-: ACTIVE

Upstream & downstream products

Upstream raw materials

Suppliers1 total

江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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