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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 81514Generated: October 23, 2026

3,3-Dimethylbutanoyl chloride

TBAC · 3,3-DIMETHYLBUTANOYL CHLORIDE · TERT-BUTYLACETYL CHLORIDE · T-BUTYLACETYL CHLORIDE · AKOS BBS-00003928 · 3,3-Dimethylbutyryl · butylacetylchloride · Chloroacetoacetamides

https://huagongshe.com/en/chemical/81514

3,3-Dimethylbutanoyl chloride molecular structure

Identifiers & Physical Properties

CAS No.7065-46-5
Molecular formulaC6H11ClO
Average molar mass134.6 g/mol
Monoisotopic mass134.04984265 g/mol
SMILESCC(C)(C)CC(=O)Cl
InChIKeyBUTKIHRNYUEGKB-UHFFFAOYSA-N
PubChem CID81514
EC No.230-356-4
DTXSIDDTXSID4064557

Chemical & Physical Properties

XLogP2.4
Topological polar surface area17.1
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds2
Heavy atoms8
Formal charge0
Complexity91.2
SpringerMaterials PropertiesChemical shift
Boiling point127-129 °C (lit.)
Density0.969 g/mL at 25 °C (lit.)
Refractive indexn20/D 1.421(lit.)
Flash point70 °F
Storage conditions2-8°C
Physical stateLiquid
ColorClear colorless to slightly yellow
SolubilityReacts with water.
SensitivityMoisture Sensitive
BRN1740421
InChIInChI=1S/C6H11ClO/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKeyBUTKIHRNYUEGKB-UHFFFAOYSA-N
SMILESC(Cl)(=O)CC(C)(C)C
CAS DataBase Reference7065-46-5(CAS DataBase Reference)
NIST Chemistry Referencetert-Butyl acetyl chloride(7065-46-5)
EPA Substance Registry SystemButanoyl chloride, 3,3-dimethyl- (7065-46-5)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS02,GHS05
Signal wordDanger
GHS hazard statementsH225-H315-H318
GHS precautionary statementsP210-P280-P305+P351+P338
Personal protective equipment (PPE)Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard symbolsC
Risk statements (R)10-34
Safety statements (S)26-36/37/39-45
UN transport numberUN 2924 3/PG 2
Water hazard class (WGK)3
F9-13-21
TSCA inventory statusTSCA listed
Hazard class3Eye Dam. 1Flam. Liq. 2Skin Irrit. 2
Packing groupII
Customs code29159000
Storage class3 - Flammable liquids
REACH registrationsActive
Limited quantities1.0 L (0.3 gallon) (liquid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & Regulations

GHS classificationDangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory informationStatus: Active Update: 21-03-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12688Butanoyl chloride, 3,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
F9-13-21
Personal protective equipment (PPE)Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Water hazard class (WGK)3
TSCA inventory statusTSCA listed
UN transport numberUN 2924 3/PG 2
Customs code29159000
Risk statements (R)10-34
Signal wordDanger
GHS pictogramGHS02,GHS05
Hazard symbolsC
Safety statements (S)26-36/37/39-45
Hazard class3Eye Dam. 1Flam. Liq. 2Skin Irrit. 2
Storage class3 - Flammable liquids
Packing groupII
GHS hazard statementsH225-H315-H318
Limited quantities1.0 L (0.3 gallon) (liquid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH registrationsActive
GHS precautionary statementsP210-P280-P305+P351+P338

Applications & Uses

Uses

3,3-Dimethylbutyryl Chloride is a useful compound in organic synthesis.