기본 정보
- 표준 SMILES
COC(OC)c1ccccc1- InChIKey
HEVMDQBCAHEHDY-UHFFFAOYSA-N- 분자식
- C9H12O2
- 평균 분자량
- 152.19 g/mol
- 단동위원소 질량
- 152.08372962
개요
(Dimethoxymethyl)benzene is a benzyl ether.
이름 및 식별자
- 우선 이름
- Benzaldehyde dimethyl acetal
- IUPAC
- dimethoxymethylbenzene
- 현지명
- 벤즈알데히드디메틸아세탈
- 영어명
- Benzaldehyde dimethyl acetal
- 분자식
- C9H12O2
- 분자량
- 152.19
이름 및 동의어
Benzaldehyde dimethyl acetal1125-88-8(dimethoxymethyl)benzeneDimethoxyphenylmethanealpha,alpha-DimethoxytolueneBENZENE, (DIMETHOXYMETHYL)-Benzaldehyde, dimethyl acetalFEMA No. 2128W6T83K35CADTXSID5061538NSC-286137RefChem:916846
이름 더 보기
벤즈알데하이드다이메틸아세탈벤즈알데히드디메틸아세탈벤즈알데하이드 다이메틸 아세탈boronic Acid Pinacol EsterImidazolidinonemorpholinonemidecarbothioamideIsoquinolinolnitrobenzoatemethylbenzamideα,α-Dimethoxytoluenel Chloride
DTXCID1033298214-413-0DimethoxymethylbenzenebenzaldehydedimethylacetalBENZALDEHYDE DIMETHYLACETALPHENYLDIMETHOXYMETHANE.alpha.,.alpha.-Dimethoxytoluene1-(dimethoxymethyl)benzene
데이터베이스 식별자
- CAS
1125-88-8- PubChem CID
- 62375
- DTXSID
DTXSID5061538- ChEBI
CHEBI:179257- UNII
- W6T83K35CA
- EC Number
- 214-413-0
- Nikkaji
- J57.881I
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 93.7
실험 및 물리화학적 성질
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.007-1.020
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
87.00 to 89.00 °C. @ 18.00 mm Hg
198 °C
Refractive Index1.488-1.496
Physical Descriptioncolourless liquid with a sweet, floral-almond odour
물리화학적 성질
- 녹는점
- 87 · 87-89 C
- 끓는 점
- 87 · 87-89 °C/18 mmHg (lit.)
- 밀도
- 1.014 g/mL · 1.014 g/mL at 25 °C (lit.)
- FEMA
- 2128 · 2128 | BENZALDEHYDE DIMETHYL ACETAL
- 굴절률
- 20 · n20/D 1.493(lit.)
- 인화점
- 157 °F · 157 °F
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 물리적 상태
- 액체
- 색상
- 무색의
- 냄새
- 100 %에서 · 100.00%에서. 녹색 흙이 많고 뿌리가 많고 열매가 많은 야채 시금치 감자 곰팡이 아몬드 포도주 같은
- 냄새 유형
- 녹색
- 생물학적 소스
- synthetic
- 수용성
- 물에서 분해되다
- JECFA Number
- 837 · 837
- BRN
- 2044501 · 2044501
- 화장품 원료 기능
- 향수
- InChI
- 1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
- InChIKey
- HEVMDQBCAHEHDY-UHFFFAOYSA-N
- SMILES
- COC(OC)c1ccccc1
- LogP
- 2.24 · 2.24
- NIST
- Benzaldehyde dimethyl acetal(1125-88-8)
- EPA
- Benzene, (dimethoxymethyl)- (1125-88-8)
화학적 성질
Benzaldehyde dimethyl acetal has a sweet, floral note; also reminiscent of almond
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
Aggregated GHS information provided per 320 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzene, (dimethoxymethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzaldehyde dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (99.7%)
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- rtecs
- CU5774000
- 독성
- LD50 orally in Rabbit: 1220 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- HS 번호
- 29110000
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 23-24/25
- 위험 등급
- IRRITANT
- F 고인화성물질
- 10-21
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzene, (dimethoxymethyl)-: ACTIVE
응용 분야
출처Reported found in rhubarb and potato.
용도Benzaldehyde dimethyl acetal used as an effective reagent for the construction of selenocarbonyl compounds.
일반 설명The abstraction of α-hydrogen atoms from benzaldehyde dimethyl acetal by active bromine at 80°C has been investigated.
제조 방법
From benzaldehyde and methanol in the presence of calcium chloride and HCl; from benzaldehyde and tetramethylorthosilicate in the presence of anhydrous HCl in methanol
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하류 제품
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