4-tert-Butylbenzaldehyde (HCID 70324)

이름 및 식별자

우선 이름: 4-tert-Butylbenzaldehyde
IUPAC: 4-tert-butylbenzaldehyde
현지명: 4-t-부틸벤즈알데하이드
영어명: 4-tert-Butylbenzaldehyde
분자식: C11H14O
분자량: 162.23

이름 및 동의어

4-tert-Butylbenzaldehyde939-97-9Benzaldehyde, 4-(1,1-dimethylethyl)-p-tert-Butylbenzaldehydep-t-Butylbenzaldehyde4-t-butyl benzaldehydeBenzaldehyde, p-tert-butyl-DTXSID6027343QXF0QY85034-(1,1-dimethylethyl)benzaldehydeEINECS 213-367-9para-tert-butylbenzaldehyde

이름 더 보기

4-t-부틸벤즈알데하이드4-tert-부틸벤즈알데히드AKOS BBS-00003171TIMTEC-BB SBB0085644-tert-Butylbenzaldetert-ButylbenzaldehydLABOTEST-BB LT00689343p-tert.ButylbenzaldehydP-TERT-BUTYL BENZALDEHYDE

AI3-37199DTXCID707343EC 213-367-9RefChem:5268584-T-BUTYL BENZALDEHYDE [INCI]213-367-9InChI=1/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H4-(tert-Butyl)benzaldehyde

데이터베이스 식별자

CAS: 939-97-9
PubChem CID: 70324
DTXSID: DTXSID6027343
ChEMBL: CHEMBL242962
ChEBI: CHEBI:232598
UNII: QXF0QY8503
EC Number: 213-367-9
Nikkaji: J298.539J

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 245 · 245-246 °C
끓는 점: 130 °C25 · 130 °C25 mm Hg(lit.)
밀도: 0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.53(lit.)
인화점: 214 °F · 214 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태: 액체
색상: 무색~황색으로 투명함
폭발한계: 1.3 · 1.3-5.6%(V)
수용성: 물에 용해됩니다.
BRN: 1906461 · 1906461
화장품 원료 기능: 향기
InChI: 1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChIKey: OTXINXDGSUFPNU-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(cc1)C(C)(C)C
LogP: 3.33 · 3.330 (est)
EPA: p-tert-Butylbenzaldehyde (939-97-9)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (68.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (30.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (71.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H334 (24.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H361 (68.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H400 (98.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (30.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P318, P321, P330, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: Benzaldehyde, 4-(1,1-dimethylethyl)-

Status: Active Update: 16-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/10941；Status: Active Update: 14-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7170

Hazard Classes and CategoriesAcute Tox. 3 (68.8%)；Acute Tox. 4 (30.5%)；Skin Sens. 1 (71.4%)；Resp. Sens. 1 (24.7%)；Repr. 2 (68.2%)；Aquatic Acute 1 (98.7%)；Aquatic Chronic 1 (30.5%)

규제 정보

Regulatory Information · 2건

Chemical: Benzaldehyde, 4-(1,1-dimethylethyl)-

Status: Active Update: 16-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/10941；Status: Active Update: 14-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7170

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
HS 번호: 29122990
risk_code: 22-43-50/53
hazard_code: Xn,N,Xi
safety_code: 36/37-60-61
포장분류: III
위험 등급: 9
F 고인화성물질: 8-9-23
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Repr. 2Skin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 4-(1,1-dimethylethyl)-: ACTIVE

응용 분야 · 2건

용도Used for preparing isoxazolyl penicillin derivatives. 4-tert-Butylbenzaldehyde is suitable for use in a kinetic study to evaluate the kinetic constants (KI) for inhibition of mushroom tyrosinase by 4-substituted benzaldehydes. It is also an important intermediate for the synthesis of medicines, dyes, flavor and fragrance compounds.

일반 설명4-tert-Butylbenzaldehyde is an important intermediate for the synthesis of medicines, dyes, flavor and fragrance compounds. It is reported to be formed during the partial oxidation of 4-tert-butyltoluene by hydrogen peroxide in glacial acetic acid, catalyzed by bromide ions in combination with cobalt(II) acetate or cerium(III) acetate. Schiff base reaction between 4-tert-butylaniline and 4-tert-butylbenzaldehyde in ethanol has been carried out on-chip in the matrix assisted laser desorption ionization (MALDI) chamber, the formed imine was detected in real time.

상·하류 제품 정보

상류 원료

Oxirane, 2-[4-(1,1-dimethylethyl)phenyl]-p-(tert-butyl)benzyl acetate 4-tert-Butylbenzyl bromide 2-(4-TERT-부틸페닐)아세트알데하이드 4-TERT-BUTYLSTYRENE 4-TERT-BUTYLPHENYLACETIC ACID 부틸(1-3차)메틸벤젠(4-)

하류 제품

p-t-부틸-α-메틸하이드로신나믹알데히드 4-tert-부틸벤질아민 부르지오날 4-이소부틸벤즈알데히드 부틸벤질알콜 p-tert-뷰틸벤질티올

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

연결된 노트

불러오는 중…

4-t-부틸벤즈알데하이드

기본 정보